%%% -*-BibTeX-*-
%%% ====================================================================
%%% BibTeX-file{
%%% author = "Nelson H. F. Beebe",
%%% version = "2.04",
%%% date = "11 April 2012",
%%% time = "09:06:18 MDT",
%%% filename = "advquantumchem.bib",
%%% University of Utah
%%% Department of Mathematics, 110 LCB
%%% 155 S 1400 E RM 233
%%% Salt Lake City, UT 84112-0090
%%% USA",
%%% telephone = "+1 801 581 5254",
%%% FAX = "+1 801 581 4148",
%%% URL = "http://www.math.utah.edu/~beebe",
%%% checksum = "39052 28024 103913 1175361",
%%% email = "beebe at math.utah.edu, beebe at acm.org,
%%% beebe at computer.org (Internet)",
%%% codetable = "ISO/ASCII",
%%% keywords = "Advances in Quantum Chemistry; bibliography;
%%% BibTeX",
%%% license = "public domain",
%%% supported = "yes",
%%% docstring = "This is a COMPLETE bibliography of
%%% publications in the book series Advances in
%%% Quantum Chemistry (CODEN AQCHA9, ISSN
%%% 0065-3276), which was published approximately
%%% annually by Academic Press. The books are
%%% currently published by Elsevier/Academic,
%%% with Web pages for their contents available
%%% at
%%%
%%% http://www.sciencedirect.com/science/bookseries/00653276
%%%
%%% At version 2.00 of 14 October 2011, this
%%% bibliography underwent a major update,
%%% merging data from the publisher that was not
%%% available when the original version 1.00 was
%%% created in late 2000. Entries in this
%%% bibliography now contain DOI and/or URL
%%% values that a Web browser can use to reach a
%%% publisher Web page for each article or book.
%%%
%%% Volumes appear irregularly: some years are
%%% missed, and some years have multiple volumes:
%%%
%%% 1964 : 1 1988 : 19
%%% 1965 : 2 1989 : 20
%%% 1966 : 1990 : 21
%%% 1967 : 3 1991 : 22
%%% 1968 : 4 1992 : 23, 24
%%% 1969 : 1993 :
%%% 1970 : 5 1994 : 25
%%% 1971 : 1995 : 26
%%% 1972 : 6 1996 : 27
%%% 1973 : 7 1997 : 28, 29
%%% 1974 : 8 1998 : 30, 31, 32, 33
%%% 1975 : 9 1999 : 34, 35, 36
%%% 1976 : 2000 : 37, 38
%%% 1977 : 10 2001 : 39, 40
%%% 1978 : 11 2002 : 41
%%% 1979 : 2003 : 42, 43, 44
%%% 1980 : 12 2004 : 45 (p1), 46 (p2), 47
%%% 1981 : 13, 14 2005 : 48, 49, 50
%%% 1982 : 15, 15 2006 : 51
%%% 1983 : 2007 : 52
%%% 1984 : 2008 : 53, 54, 55
%%% 1985 : 17 2009 : 56, 57, 58
%%% 1986 : 18 2010 : 59, 60
%%% 1987 : 2011 : 61, 62
%%%
%%% The publisher Web site erroneously assigns
%%% volume 2 to 1966; its cover-page year is
%%% 1965, and entries below have been corrected
%%% accordingly.
%%%
%%% #############################################
%%% #############################################
%%% ## This bibliography is dedicated in fond ##
%%% ## memory of, and to, Per-Olov Lowdin: ##
%%% ## advisor, alpinist, friend, host, ##
%%% ## leader, linear algebraist, mentor, ##
%%% ## musician, role model, scientist, ##
%%% ## and teacher of a great many of us in ##
%%% ## his extended scientific family. ##
%%% #############################################
%%% #############################################
%%%
%%% At version 2.04, the COMPLETE year coverage
%%% looked like this:
%%%
%%% 1964 ( 16) 1981 ( 22) 1998 ( 105)
%%% 1965 ( 14) 1982 ( 23) 1999 ( 59)
%%% 1966 ( 0) 1983 ( 0) 2000 ( 38)
%%% 1967 ( 16) 1984 ( 0) 2001 ( 58)
%%% 1968 ( 16) 1985 ( 12) 2002 ( 15)
%%% 1969 ( 0) 1986 ( 9) 2003 ( 96)
%%% 1970 ( 16) 1987 ( 0) 2004 ( 64)
%%% 1971 ( 0) 1988 ( 14) 2005 ( 59)
%%% 1972 ( 18) 1989 ( 12) 2006 ( 10)
%%% 1973 ( 20) 1990 ( 23) 2007 ( 17)
%%% 1974 ( 12) 1991 ( 12) 2008 ( 75)
%%% 1975 ( 11) 1992 ( 21) 2009 ( 37)
%%% 1976 ( 0) 1993 ( 0) 2010 ( 31)
%%% 1977 ( 13) 1994 ( 11) 2011 ( 23)
%%% 1978 ( 17) 1995 ( 11) 2012 ( 12)
%%% 1979 ( 0) 1996 ( 14)
%%% 1980 ( 14) 1997 ( 61)
%%%
%%% Article: 1065
%%% Book: 62
%%%
%%% Total entries: 1127
%%%
%%% Bibliography entries for this series could be
%%% treated either as (hardback) journal
%%% <at>Article{...} entries, or as
%%% <at>InCollection{...} entries. We choose the
%%% former here, since that is how the articles
%%% are most commonly cited, but we also include
%%% <at>Book{...} entries for each of the series
%%% volumes.
%%%
%%% Each volume of the series is assigned a year
%%% value, printed prominently on the spine and
%%% the title page. Unfortunately, the copyright
%%% year sometimes differs from this assigned
%%% year, leading to confusion in library
%%% catalogs and databases, sigh... In this
%%% bibliography, we use the assigned year,
%%% rather than the copyright year. The cases
%%% where these differ include at least these:
%%%
%%% -----------------------
%%% Volume Spine Copyright
%%% Year Year
%%% -----------------------
%%% 31 1998 1999
%%% 36 1999 2000
%%% 37 2000 2001
%%% -----------------------
%%%
%%% BibTeX note values for the <at>Book{...}
%%% entries record these year discrepancies,
%%% which will therefore automatically appear in
%%% formatted citation lists in BibTeX output
%%% .bbl files. These note values are NOT
%%% included in the individual <at>Article{...}
%%% entries.
%%%
%%% Data for this bibliography has been collected
%%% from several sources, credited in bibsource
%%% values in the BibTeX entries:
%%%
%%% OCLC ArticleFirst database (ca. 1990--2000)
%%% OCLC WorldCat database (ca. 1990--2000)
%%% Optical character recognition (OCR) of
%%% tables-of-contents pages
%%% Science Citation Index database (1980--2000)
%%% ScienceDirect Web site
%%% University of California MELVYL catalog
%%% U.S. Library of Congress
%%% http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html
%%% nhfb-allref.bib (an unreleased bibliography of original papers)
%%%
%%% There is no coverage of this series in:
%%%
%%% Compendex database (1970--1999)
%%% IEEE INSPEC database (1968--2000)
%%% MathSciNet database (1940--2000)
%%% Zentralblatt Math database (1931--2000)
%%%
%%% The University of California MELVYL catalog
%%% has been particularly helpful for information
%%% about books, and for names, CODEN values, and
%%% ISSN values of periodicals; the people of the
%%% State of California are gratefully
%%% acknowledged for making it available on the
%%% Internet.
%%%
%%% When the electronic sources of data had been
%%% exhausted, and numerous holes still remained,
%%% with sometimes entire volumes uncovered,
%%% photocopies were made of the tables of
%%% contents from each of the volumes, and ending
%%% page numbers were manually recorded from
%%% tedious examination of each volume.
%%%
%%% This work turned up a serious error in volume
%%% 33, where the page numbers in the table of
%%% contents are completely wrong from page 291
%%% onward.
%%%
%%% The photocopies were then scanned and
%%% converted to ASCII text with the Xerox
%%% Textbridge Professional OCR package on an
%%% Apple Macintosh. That data was then manually
%%% merged into <at>Article{...} templates, and
%%% used to supply full author names (which too
%%% many databases reduce to bare initials),
%%% ending page numbers (sadly omitted by some
%%% major databases), and toc string values.
%%%
%%% Finally, ending page numbers, accents in
%%% personal names, and correct mathematical and
%%% chemical markup in title and toc strings,
%%% were manually supplied; none of the
%%% electronic databases, nor the OCR process,
%%% handle such markup correctly.
%%%
%%% It is likely that a few errors remain from
%%% inconsistencies in the volume tables of
%%% contents versus the actual articles, most
%%% likely in the abbreviation of author first
%%% names to initials. It will take some
%%% considerable work to manually check these
%%% against the published volumes. Page number
%%% data should be completely correct: a page gap
%%% analysis finds no discrepancies, and an
%%% entry-by-entry comparison of page number
%%% ranges with the table-of-contents photocopies
%%% matches exactly.
%%%
%%% Here are some statistics for volumes 1..38
%%% (1964--2000):
%%%
%%% Total arabic entries: 429
%%% Total arabic pages: 13615
%%% Minimum arabic pages: 1
%%% Maximum arabic pages: 184
%%% Average arabic pages/entry: 31.74
%%%
%%% Total roman entries: 86
%%% Total roman pages: 179
%%% Minimum roman pages: 1
%%% Maximum roman pages: 5
%%% Average roman pages/entry: 2.08
%%%
%%% The longest article (184 pages, 4 authors) is
%%% that with BibTeX citation label
%%% Vanhove:1989:SSS, and the second longest (148
%%% pages, 1 author) is that with label
%%% Lowdin:1965:QGA.
%%%
%%% There are 11 full articles authored by
%%% Per-Olov Lowdin, only two of them with
%%% co-authors; they total 556 pages, or an
%%% average of 50 pages/article.
%%%
%%% There are 686 different authors. The article
%%% counts of the most frequent authors (of three
%%% or more articles, considering only family
%%% names) are:
%%%
%%% 106 Anonymous 5 J{\o}rgensen 4 Morinaga
%%% 37 Lowdin 5 Sabin 4 Ogasawara
%%% 16 Adachi 5 Uda 4 Paldus
%%% 8 Tanaka 4 Bartlett 4 Persson
%%% 8 Wilson 4 Bastug 4 Varga
%%% 7 Nakamatsu 4 Daudel 3 Anton
%%% 6 Mukoyama 4 Ellis 3 Barone
%%% 6 Onoe 4 Fricke 3 Basu
%%% 6 Sekine 4 Hirata 3 Berthier
%%% 5 Carb{\'o} 4 Matsen 3 Besal{\'u}
%%% 3 Bishop 3 Mishra 3 Sepp
%%% 3 Diercksen 3 Nesbet 3 Smeyers
%%% 3 Green 3 Oddershede 3 Wakita
%%% 3 Ishii 3 Pullman 3 Yamaguchi
%%% 3 Karwowski 3 Ruedenberg 3 {\AA}gren
%%%
%%% About half of the articles (247) are long
%%% reviews, averaging 42 pages, and have their
%%% own tables of contents which are reproduced
%%% in tableofcontents strings in the BibTeX
%%% entries below, to enhance keyword searching.
%%% Most of these came from the OCR data,
%%% although for a few recent volumes, such data
%%% was found in some of the electronic
%%% databases.
%%%
%%% Numerous errors in the sources noted above
%%% have been corrected. Spelling has been
%%% verified with the UNIX spell and GNU ispell
%%% programs using the exception dictionary
%%% stored in the companion file with extension
%%% .sok.
%%%
%%% BibTeX citation tags are uniformly chosen
%%% as name:year:abbrev, where name is the
%%% family name of the first author or editor,
%%% year is a 4-digit number, and abbrev is a
%%% 3-letter condensation of important title
%%% words. Citation tags were automatically
%%% generated by software developed for the
%%% BibNet Project.
%%%
%%% In this bibliography, entries are sorted in
%%% publication order within each journal,
%%% using bibsort -byvolume.
%%%
%%% The checksum field above contains a CRC-16
%%% checksum as the first value, followed by the
%%% equivalent of the standard UNIX wc (word
%%% count) utility output of lines, words, and
%%% characters. This is produced by Robert
%%% Solovay's checksum utility.",
%%% }
%%% ====================================================================
@Preamble{
"\hyphenation{
Ada-chi
atom-ic
Bar-one
Ber-nard
Ber-thier
bor-ane
bor-anes
cat-ion
cat-ions
Chri-sta
Cos-si
HB-XY-BH
Hen-ry
di-bro-mo
Do-min-go
Froe-lich
Gra-bo
Gra-bow-ski
graph-ite
Grein-er
Guenz-burg-er
Gus-tavs-son
I-ma-na-ga
Je-zi-or-ski
Ju-lia
Ka-zu-chi-ka
Ku-ri-sa-ki
Kwi-at-kow-ski
Ma-sa-te-ru
Ma-sa-yu-ki
Martens-son
Mc-Will-iams
meth-od
Mich-ael
Mik-kel-sen
Mo-szyn-ski
Mu-ko-ya-ma
Na-ka-ma-tsu
Pas-qua-le
Po-shu-sta
pro-per
pseu-do-po-tent-ials
Rus-so
Schae-fer
Sou-rav
Ste-ven
Ta-chi-ba-na
Ta-ke-shi
Tsu-to-mu
}" #
"\ifx \k \undefined \let \k = \c \fi" #
"\input ijqc.sty"
}
%%% ====================================================================
%%% Acknowledgement abbreviations:
@String{ack-nhfb = "Nelson H. F. Beebe,
University of Utah,
Department of Mathematics, 110 LCB,
155 S 1400 E RM 233,
Salt Lake City, UT 84112-0090, USA,
Tel: +1 801 581 5254,
FAX: +1 801 581 4148,
e-mail: \path|beebe@math.utah.edu|,
\path|beebe@acm.org|,
\path|beebe@computer.org| (Internet),
URL: \path|http://www.math.utah.edu/~beebe/|"}
%%% ====================================================================
%%% Journal abbreviations:
@String{j-ADV-QUANTUM-CHEM = "Advances in Quantum Chemistry"}
%%% ====================================================================
%%% Publisher abbreviations:
@String{pub-ACADEMIC = "Academic Press Inc."}
@String{pub-ACADEMIC:adr = "New York, USA"}
@String{pub-ELSEVIER = "Elsevier"}
@String{pub-ELSEVIER:adr = "Amsterdam, The Netherlands"}
@String{pub-ELSEVIER-ACADEMIC = "Elsevier Academic Press"}
@String{pub-ELSEVIER-ACADEMIC:adr = "Amsterdam, The Netherlands"}
%%% ====================================================================
%%% Bibliography entries, in ascending year order, alphabetical by
%%% citation label within each (e.g., with "bibsort -byyear"):
@Article{Hylleraas:1964:STE,
author = "Egil A. Hylleraas",
title = "The {Schr{\"o}dinger} Two-Electron Atomic Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "1--33",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60373-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603731",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. The Early States of the Helium Problem 2 \\
III. Advanced Methods in the Theory of Two-Electron
Systems 15 \\
References 33",
}
@Article{Slater:1964:EBC,
author = "J. C. Slater",
title = "Energy Band Calculations by the {Augmented Plane Wave}
Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "35--58",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60374-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603743",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. The Method and Its Development 35 \\
II. The Accuracy of the Method, and Comparison with
Other Methods 38 \\
III. The Determination of the Potential 41 \\
IV. Results of Augmented Plane Wave (APW) Calculations
45 \\
References 57",
}
@Article{Matsen:1964:SFQ,
author = "F. A. Matsen",
title = "Spin-Free Quantum Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "59--114",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60375-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603755",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 60 \\
II. The Concept of Chemical Structure 61 \\
III. The Spin-Free Formulation of Quantum Chemistry 75
\\
IV. Finite Group Algebras and Quantum Mechanics 89 \\
V. The Permutation Algebra 95 \\
VI. The Conventional Formulation 106 \\
References 113",
}
@Article{Daudel:1964:BMM,
author = "R. Daudel",
title = "On the Basis of the Main Methods of Calculating
Molecular Electronic Wave Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "115--143",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60376-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603767",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Some Mathematical Requirements 115 \\
II. Physical Aspects of the Problem 119 \\
III. Orbitals and Biorbitals (or Geminals) 126 \\
IV. Concluding Remarks 141 \\
References 143",
}
@Article{Basu:1964:TSE,
author = "Sadhan Basu",
title = "Theory of Solvent Effects on Molecular Electronic
Spectra",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "145--169",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60377-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603779",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 145 \\
II. Perturbation Theory for Solvent-Solute Interaction
147 \\
III. Onsager Model for Solvent-Solute Systems 149 \\
IV. Reduction of the Perturbation Energy Expression 151
\\
V. General Discussion of Solvent Effect in Nonpolar
Solvent 157 \\
VI. Experimental Verification 162 \\
VII. Solvent Shift in Mixed Solvents 162 \\
VIII. Solvent Shift in Polar Solvents 163 \\
IX. Solvent Effect on Emission Spectra 163 \\
X. Solvent Shift and Excited State Dipole Moment 164
\\
XI. Solvent Effect on the Intensity of the Absorption
Band 165 \\
XII. Concluding Remarks 167 \\
References 169",
}
@Article{Lykos:1964:PEA,
author = "Peter G. Lykos",
title = "The Pi-Electron Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "171--201",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60378-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603780",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 171 \\
II. Quantum Mechanical Foundation 173 \\
III. Semiempirical Theory: The Over-all Structure 180
\\
IV. Semiempirical Theory: The Parameters 185 \\
V. Areas of Application, Old and New 190 \\
VI. Conclusion 197 \\
References 199",
}
@Article{IHaya:1964:RDG,
author = "Y. I'Haya",
title = "Recent Developments in the Generalized {H}{\"u}ckel
Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "203--240",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60379-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603792",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 203 \\
II. Outline of the Generalized H{\"u}ckel Method 204
\\
III. General Criticisms and Some Improvements on the
Generalized H{\"u}ckel Method 207 \\
IV. Ethylene as a Two-Electron Problem 212 \\
V. Ethylene as a Four-Electron Problem 222 \\
VI. Two-Center Electronic Repulsion Integrals 233 \\
VII. Further Applications to Larger Molecules 235 \\
VIII. Concluding Remarks 237 \\
References 239",
}
@Article{Hall:1964:ACA,
author = "G. G. Hall",
title = "Accuracy of Calculated Atomic and Molecular
Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "241--254",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60380-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603809",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 241 \\
II. The Double Perturbation Expansion 242 \\
III. The F-Function Technique 245 \\
IV. The First-Order Density Matrix 247 \\
V. Stable Wave Functions 249 \\
VI. Some Illustrative Results 251 \\
VII. Conclusions 253 \\
References 254",
}
@Article{Hirschfelder:1964:RDP,
author = "Joseph O. Hirschfelder and W. Byers Brown and Saul T.
Epstein",
title = "Recent Developments in Perturbation Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "255--374",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60381-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
nhfb-allref.bib",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603810",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 256 \\
II. Rayleigh--Schr{\"o}dinger Perturbation Theory for a
Nondegenerate State 265 \\
III. Solution of Perturbation Equations 269 \\
IV. Expectation Values and Double Perturbation Theory
284 \\
V. General Connections between Perturbation Theory and
the Variational Principle 298 \\
VI. The FOPIM (First-Order Perturbation Iteration
Method) and FOP-VIM (First Order Perturbation-Variation
Iterative Method) Fast-Converging Iteration Procedures
307 \\
VII. Degenerate or Almost Degenerate Energy Level
Perturbations 312 \\
VIII. Off-Diagonal Matrix Elements 315 \\
IX. Time-Dependent Perturbation Theory 319 \\
X. Sum Rules and the Calculation of Sums 325 \\
XI. Applications 341 \\
XII. Existence and Convergence of the Perturbation
Series (by Theodore W. Palmer) 349 \\
References 369",
}
@Article{Anonymous:1964:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "375--381",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60382-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603822",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1964:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "382--385",
year = "1964",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:03:00 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1964:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "iv--iv",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60370-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603706",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1964:CV,
author = "Anonymous",
title = "Contributors to the Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "??--??",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60368-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603688",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1964:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "v--vi",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60371-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603718",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1964:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "1",
pages = "vii--viii",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60372-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860372X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Boys:1965:QCW,
author = "S. F. Boys and P. Rajagopal",
title = "Quantum Calculations: Which Are Accumulative in
Accuracy, Unrestricted in Expansion Functions, and
Economical in Computation",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "1--24",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60070-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600702",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. The Use of Complete Systems of Functions 3 \\
III. Accumulative Accuracy 5 \\
IV. The Time Factor in Computation 9 \\
V. The Expansion of Many-Center Functions in Terms of
Single-Center Functions 11 \\
VI. A Practical Polar Grid for Integration around a
Single Center 13 \\
VII. A Treatment of the 11r12 Singularity 15 \\
VIII. Some Results of Numerical Integration
Calculations 17 \\
IX. Discussion 22 \\
References 24",
}
@Article{Fischer-Hjalmars:1965:ZDO,
author = "Inga Fischer-Hjalmars",
title = "Zero Differential Overlap in $\pi$-Electron Theories",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "25--46",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60071-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600714",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction and Summary 25 \\
II. Basis of Zero Differential Overlap 27 \\
III. The H{\"u}ckel Method 39 \\
IV. Concluding Remarks 43 \\
References 45",
}
@Article{Blinder:1965:TAH,
author = "S. M. Blinder",
title = "Theory of Atomic Hyperfine Structure",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "47--91",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60072-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600726",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 47 \\
II. Relativistic Theory of the Electron 49 \\
III. The Hamiltonian for Hyperfine Interactions 55 \\
IV. Hyperfine Structure of One-Electron Atoms 62 \\
V. Hyperfine Structure of Complex Atoms and Ions 69 \\
References 87",
}
@Article{McWeeny:1965:TPC,
author = "R. McWeeny and E. Steiner",
title = "The Theory of Pair-Correlated Wave Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "93--117",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60073-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600738",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 93 \\
II. The Pair-Sea Formation 95 \\
III. The Calculation of $\Psi_0$: SCF-HF Method 102 \\
IV. Perturbation Variation Method 105 \\
V. The General First-Order Wave Function 110 \\
VI. Summary and Discussion 115 \\
References 117",
}
@Article{Jansen:1965:QCC,
author = "Laurens Jansen",
title = "Quantum Chemistry and Crystal Physics: Stability of
Crystals of Rare Gas Atoms and Alkali Halides in Terms
of Three-Atom and Three-Ion Exchange Interactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "119--194",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60074-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860074X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Background of the Stability Problems 119 \\
II. Possible Many-Atom and Many-Ion Interactions in
Crystals 137 \\
III. Stability of Rare Gas and Alkali Halide Crystals
in Terms of Three-Body Interactions 149 \\
IV. Discussion of Results and Concluding Remarks 190
\\
References 192",
}
@Article{Jehle:1965:CFI,
author = "Herbert Jehle",
title = "Charge Fluctuation Interactions in Molecular
Biophysics",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "195--212",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60075-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600751",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 195 \\
H. Free Energy of Interaction 196 \\
III. Interactions between Two Molecules Held at Given
Temperature 198 \\
IV. Participation of the Surrounding Aqueous Medium in
the Interaction between Molecules 204 \\
V. Charge Fluctuations and Apolar Bonding 205 \\
VI. Charge Fluctuation Interactions and Biological
Specificity 206 \\
References 209",
}
@Article{Lowdin:1965:QGA,
author = "Per-Olov L{\"o}wdin",
title = "Quantum Genetics and the Aperiodic Solid. {Some}
Aspects of the Biological Problems of Heredity,
Mutations, Aging and Tumors in View of the Quantum
Theory of the {DNA} Molecule",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "213--360",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60076-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600763",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 216 \\
II. Historical Development of the Theory of the
Hereditary Mechanism 222 \\
III. Stereostructure of DNA and the Connection with Its
Biological Functioning 233 \\
IV. Properties of the Hydrogen Bond 248 \\
V. Quantum Theory of DNA 286 \\
VI. Some Remarks on the Replication of DNA, the
Formation of RNA, and the Coding Problem 308 \\
VII. Problem of Mutations 333 \\
VIII. Problem of Aging 339 \\
IX. Some Aspects on the Connection between the DNA
Structure and the Development of Tumors and Cancer 341
\\
X. Discussion 348 \\
References 351",
}
@Article{Anonymous:1965:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "361--368",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60077-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600775",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1965:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "369--372",
year = "1965",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:03:14 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1965:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "iv--iv",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60067-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600672",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1965:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "??--??",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60065-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600659",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1965:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "v--vi",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60068-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600684",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1965:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "2",
pages = "vii--viii",
year = "1965",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60069-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600696",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nesbet:1967:AHF,
author = "R. K. Nesbet",
title = "Approximate {Hartree--Fock} Calculations on Small
Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "1--24",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60085-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600854",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 24 \\
II. Computational Technique 3 \\
III. Diatomic Molecules 9 \\
IV. Polyatomic Molecules 18 \\
V. Discussion 21 \\
References 22",
}
@Article{Bishop:1967:SCM,
author = "David M. Bishop",
title = "Single-Center Molecular Wave Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "25--59",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60086-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600866",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 25 \\
II. Method of Calculation 28 \\
III. Simple Wave Functions 32 \\
IV. Complex Wave Functions 37 \\
V. General Remarks 48 \\
General References 56 \\
References 57",
}
@Article{Harris:1967:MOT,
author = "Frank E. Harris",
title = "Molecular Orbital Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "61--127",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60087-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600878",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 61 \\
II. Spin and Antisymmetry 63 \\
III. Orbital Theories 74 \\
IV. Single-Configuration Methods 101 \\
APPENDIX A. Orthogonalization Procedures 116 \\
APPENDIX B. Coefficients for Spin Projections 119 \\
References 126",
}
@Article{Margenau:1967:NIF,
author = "H. Margenau and J. Stamper",
title = "Nonadditivity of Intermolecular Forces",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "129--160",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60088-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860088X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 129 \\
II. Long-Range Forces 129 \\
III. Short-Range, Three-Body Forces 139 \\
IV. Short-Range, Four-Body Forces 149 \\
V. Conclusions 159 \\
References 159",
}
@Article{Daudel:1967:QTC,
author = "R. Daudel",
title = "Quantum Theory of Chemical Reactivity",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "161--208",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60089-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600891",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. General Introduction 161 \\
II. Basis of the Theory 162 \\
III. Equilibrium Constants 178 \\
IV. Rate Constants 191 \\
V. General Conclusion 205 \\
References 205",
}
@Article{Bratoz:1967:ETH,
author = "S. Brato{\v{z}}",
title = "Electronic Theories of Hydrogen Bonding",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "209--237",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60090-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600908",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 209 \\
II. Phenomenology of Hydrogen Bonding 210 \\
III. Classical Theories 212 \\
IV. Quantum Theories; Ground State 215 \\
V. Quantum Theories; Excited State 231 \\
References 235",
}
@Article{Ohno:1967:MOC,
author = "Kimio Ohno",
title = "Molecular Orbital Calculations of $\pi$ Electron
Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "239--322",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60091-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860091X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 240 \\
II. The Method of Antisymmetrized Product of Molecular
Orbitals in LCAO Approximation, Including Configuration
Interaction (ASP MO LCAO CI Method) 241 \\
III. Semiempirical Theory of Pariser, Parr, and Pople
282 \\
IV. Simple Molecular Orbital Theory 298 \\
V. The Validity of the $\sigma$--$\pi$ Separation 316
\\
References 318",
}
@Article{Lowdin:1967:QTT,
author = "Per-Olov L{\"o}wdin",
title = "Quantum Theory of Time-Dependent Phenomena Treated by
the Evolution Operator Technique",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "323--381",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60092-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600921",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 324 \\
II. Coordinate Space and Momentum Space; Phase Problem
in Quantum Mechanics 332 \\
III. Schr{\"o}dinger Equation 340 \\
IV. Schr{\"o}dinger Equation for Particles in
Electromagnetic Field 347 \\
V. Evolution Operator 355 \\
VI. Reformulation of Quantum Theory 361 \\
VII. Transition Probabilities 363 \\
VIII. Time-Dependent Perturbation Theory 371 \\
IX. Discussion 378 \\
APPENDIX. Evaluation of Certain Integrals 379 \\
References 381",
}
@Article{Anonymous:1967:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "383--388",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60093-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600933",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1967:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "389--392",
year = "1967",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:03:31 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1967:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "iv--iv",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60081-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600817",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1967:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "xiii--xvi",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60084-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600842",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
xxpages = "xiii--xiv",
}
@Article{Anonymous:1967:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "??--??",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60079-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600799",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1967:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "v--vi",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60082-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600829",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1967:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "3",
pages = "vii--viii",
year = "1967",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60083-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600830",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lengyel:1968:FAQ,
author = "Bela A. Lengyel",
title = "Functional Analysis for Quantum Theorists",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "1--82",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60389-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603895",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. The Basic Structure of Hubert Space 3 \\
II. Bounded Linear Operators 17 \\
III. Spectral Theory of Bounded Self-Adjoint Operators
28 \\
IV. Spectral Theory of Unbounded Linear Operators 44
\\
V. Unitary Operators. Equivalence of Operators 64 \\
VI. Resolvent and Spectrum 74 \\
References 82",
}
@Article{Coleman:1968:SGM,
author = "A. J. Coleman",
title = "The Symmetric Group Made Easy",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "83--108",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60390-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603901",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 83 \\
II. Young Diagram 84 \\
III. Young Tableaux 90 \\
IV. Characters 97 \\
V. Schur's Theorem and Spin Functions 101 \\
References 108",
}
@Article{Kobe:1968:FTA,
author = "Donald H. Kobe",
title = "Field Theoretic Approach to Atomic Helium",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "109--140",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60391-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603913",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 109 \\
II. Application to Atomic Hydrogen 111 \\
III. The Second Quantized Helium System 115 \\
IV. Green's Function 116 \\
V. Single-Particle Green's Function Equation of Motion
119 \\
VI. Two-Particle Green's Function Equation for the
Triplet State 121 \\
VII. The Approximate Equation for the One-Particle
Green's Function for the Triplet State 124 \\
VIII. Factorization of the Two-Particle Green's
Function 127 \\
IX. Comparison with Hartree--Fock Theory 128 \\
X. Triplet State Energies 129 \\
XI. Factorization of the Two-Particle Green's Function
for the Singlet State 132 \\
XII. The Approximate Equation for the Single-Particle
Propagator for the Singlet State 134 \\
XIII. Singlet State Energies 136 \\
XIV. Conclusion 138 \\
References 140",
}
@Article{Bieniewski:1968:AIC,
author = "T. M. Bieniewski and T. K. Krueger and S. J. Czyzak",
title = "Atomic Intensities: {A} Comparison of Theoretical and
Experimental $f$-Values for {ZnI}, {CdI} and {HgI}",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "141--152",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60392-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603925",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 141 \\
II. Apparatus and Experimental Procedures 142 \\
III. Theoretical Considerations 146 \\
IV. Discussion 148 \\
References 151",
xxnote = "Check: are these iodides, or is the I roman 1??",
}
@Article{Goodman:1968:PST,
author = "Lionel Goodman and Bernard J. Laurenzi",
title = "Probability of Singlet-Triplet Transitions",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "153--169",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60393-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603937",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "Introduction 153 \\
I. Transition Probabilities 154 \\
II. Relativistic $N$-Particle Equation 154 \\
III. Nonrelativistic Transition Probabilities 159 \\
IV. Sources of Intensity in $S$--$T$ Transitions 160
\\
V. Two-Electron Spin-Orbit Coupling 165 \\
References 168",
}
@Article{Dahl:1968:MOT,
author = "J. P. Dahl and C. J. Ballhausen",
title = "Molecular Orbital Theories of Inorganic Complexes",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "170--226",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60394-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603949",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 170 \\
II. General Considerations 172 \\
III. Semiempirical MO Theories 178 \\
IV. Semiquantitative MO Theories 181 \\
V. Zero Differential Overlap Approximations 203 \\
VI. The Permanganate Ion 214 \\
VII. Summary 223 \\
References 224",
}
@Article{Kotani:1968:PPE,
author = "Masao Kotani",
title = "Paramagnetic Properties and Electronic Structure of
Iron in Heme Proteins",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "227--266",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60395-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603950",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction and Early Measurements 227 \\
II. Electronic Structure of Ferric and Ferrous Ions.
Ligand Field Theory 240 \\
III. Theoretical Studies and Some Recent Experiments
252 \\
References 266",
}
@Article{Pullman:1968:AES,
author = "Alberte Pullman and Bernard Pullman",
title = "Aspects of the Electronic Structure of the Purine and
Pyrimidine Bases of the Nucleic Acids and of Their
Interactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "267--325",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60396-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603962",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 267 \\
II. Refined Molecular Orbital Calculations on the
Purine and Pyrimidine Components of the Nucleic Acids
270 \\
III. Purine-Pyrimidine Interactions 298 \\
References 321",
}
@Article{Anonymous:1968:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "327--331",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60397-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603974",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1968:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "332--334",
year = "1968",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:03:47 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1968:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "iv--iv",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60386-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860386X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1968:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "xiii--xiv",
year = "1968",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Tue Jan 09 17:02:18 2001",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1968:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "??--??",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60384-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603846",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1968:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "v--vi",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60387-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603871",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1968:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "4",
pages = "vii--viii",
year = "1968",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60388-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603883",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Daudel:1970:SAQ,
author = "R. Daudel",
title = "Some Aspects of the Quantum Theory of Photochemical
Reactivity of Organic Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "1--26",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60335-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603354",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. General Introduction 1 \\
II. Brief Summary concerning the Calculations of
Equilibrium Constants for Molecules in Their Ground
State 2 \\
III. Base Strength of Conjugated Molecules in Their
Electronic Excited States 3 \\
IV. Brief Summary concerning the Calculation of Rate
Constants for Molecules in Their Ground State 8 \\
V. Rate of Photochemical Reaction 10 \\
VI. General Conclusions 24 \\
References 24",
}
@Article{Feinberg:1970:OBA,
author = "M. J. Feinberg and Klaus Ruedenberg and Ernest L.
Mehler",
title = "The Origin of Binding and Antibinding in the Hydrogen
Molecule-Ion",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "27--98",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60336-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603366",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 28 \\
II. Premises 28 \\
III. Wave Functions and Densities in the Ground State
37 \\
IV. The Origin of Binding in the Ground State 41 \\
V. Orbital Analysis of the Ground State 56 \\
VI. Orbital Analysis of the Antibinding State 73 \\
VII. Dependence upon the Internuclear Distance 80 \\
VIII. Conclusion 94 \\
Appendix A 94 \\
Appendix B 97 \\
References 98",
}
@Article{Kolos:1970:AAA,
author = "W{\l}odzimierz Ko{\l}os",
title = "Adiabatic Approximation and Its Accuracy",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "99--133",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60337-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603378",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 99 \\
II. Separation of Electronic and Nuclear Motion 100 \\
III. Limiting Values of the Adiabatic Corrections 107
\\
IV. Refinements of the Adiabatic Approximation 110 \\
V. Accuracy of the Adiabatic Approximation 115 \\
References 131",
}
@Article{Nikitin:1970:TNT,
author = "E. E. Nikitin",
title = "The Theory of Nonadiabatic Transitions: Recent
Development with Exponential Models",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "135--184",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60338-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860338X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. An Exponential Model of Nonadiabatic Coupling of
Two Electronic States 135 \\
II. Semiclassical Description of Nonadiabatic Coupling
in the Constant Velocity Approximation 139 \\
III. General Formula for the Transition Probability and
the Analytical Behavior of the Adiabatic Term Splitting
145 \\
IV. Effect of the Turning Point 149 \\
V. Quantum Corrections to the Semiclassical Formula 155
\\
VI. Mean Transition Probability, Cross Section, and
Rate Constant for a Nonadiabatic Process 161 \\
VII. Extensions of the Exponential Model to
Nonexponential Interactions 169 \\
VIII. Application of Exponential Models to Elementary
Processes 181 \\
Notation 182 \\
References 182",
}
@Article{Lowdin:1970:NP,
author = "Per-Olov L{\"o}wdin",
title = "On the Nonorthogonality Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "185--199",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60339-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
note = "Contribution to {Professor Ivar Waller}'s 70-Year
Anniversary Volume.",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603391",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 185 \\
II. Orthonormalization Procedures 187 \\
III. Further Aspects on the Nonorthogonality Problem
195 \\
IV. Calculations of Cohesive and Elastic Properties of
the Alkali Halides 196 \\
References 198",
}
@Article{Bingel:1970:SPR,
author = "W. A. Bingel and W. Kutzelnigg",
title = "Symmetry Properties of Reduced Density Matrices and
Natural $p$ -States",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "201--218",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60340-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603408",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 201 \\
II. Symmetry Properties of Transition Density Matrices
202 \\
III. Symmetry Properties of p-Densities 203 \\
IV. The First-Order Transition Density Matrices 207 \\
V. The Second-Order Transition Density Matrices 208 \\
VI. Symmetry Properties of the Natural $p$-States 209
\\
VII. Symmetry Properties of the NSO's and the NO's 210
\\
VIII. Symmetry Properties of the NSG's and the NG's 213
\\
IX. Symmetry of the NO's and ``Natural Expansion'' of
the Wave Functions 215 \\
X. Degeneracies of the Eigenvalues of $D^p$ due to
Symmetry 217 \\
References 218",
}
@Article{Klein:1970:SAS,
author = "D. J. Klein and C. H. Carlisle and F. A. Matsen",
title = "Symmetry Adaptation to Sequences of Finite Groups",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "219--260",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60341-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860341X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. General Introduction 219 \\
II. Theoretical Introduction 221 \\
III. Review of Wedderburn's Construction of a Matric
Basis 225 \\
IV. Construction of the Sequence Adapted Matric Basis
227 \\
V. Properties of the Sequence Adapted Matric Basis 229
\\
VI. Canonical Subgroups 231 \\
VII. Induction, Subduction, and the Frobenius
Reciprocity Theorem 233 \\
VIII. Semidirect Products 234 \\
IX. Unitary Transformation of an Irreducible
Representation 237 \\
X. Application to the Symmetric Group 239 \\
XI. Chains of Subgroups 240 \\
XII. Examples from the Symmetric Group 241 \\
XIII. Local Permutational Symmetry and Chemical
Structure 246 \\
XIV. Local Permutational Symmetry in Perturbation
Theories for ``Exchange'' Energies 250 \\
XV. Magnetism and Local Permutational Symmetry 256 \\
XVI. Summary and Conclusion 257 \\
References 258",
}
@Article{Wahl:1970:MOV,
author = "Arnold C. Wahl and G. Das",
title = "The Method of Optimized Valence Configurations: {A}
Reasonable Application of The Multiconfiguration
Self-Consistent-Field Technique to the Quantitative
Description of Chemical Bonding",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "261--296",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60342-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603421",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 261 \\
II. The OVC Method 266 \\
III. Discussion 291 \\
References 294",
}
@Article{Anonymous:1970:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "297--301",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60343-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603433",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1970:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "302--303",
year = "1970",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Sat Dec 30 14:22:43 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1970:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "iv--iv",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60332-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603329",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1970:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "xiii--xv",
year = "1970",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:03:56 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1970:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "??--??",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60330-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603305",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1970:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "ix--x",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60333-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603330",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
xxpages = "ix--ix",
}
@Article{Lowdin:1970:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "5",
pages = "xi--xii",
year = "1970",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60334-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603342",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Slater:1972:SEC,
author = "John C. Slater",
title = "Statistical Exchange-Correlation in the
Self-Consistent Field",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "1--92",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60541-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605419",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. The Derivation of the X$\alpha$ Self-Consistent
Method by Variations 1 \\
II. Common Misconceptions Regarding the Statistical
Exchange-Correlation 6 \\
III. Specific Advantages of the X$\alpha$ Method. Total
Energy and Value of $\alpha$ 10 \\
IV. The X$\alpha$ Method and the Fermi Statistics 12
\\
V. The Hyper-Hartree--Fock Method 15 \\
VI. Comparison of the X$\alpha$ and HHF Methods 19 \\
VII. Energy of an Atom as a Function of Occupation
Numbers 21 \\
VIII. Computation of Unrelaxed Second Derivatives by
the X$\alpha$ and HHF Methods 26 \\
IX. Optical Absorption and the Transition State 30 \\
X. Band Absorption versus Localized Absorption in
Crystals 32 \\
XI. The X$\alpha$ Method and Magnetic Problems 37 \\
Key to the References 42 \\
References 48",
}
@Article{Aslangul:1972:ALE,
author = "Claude Aslangul and Raymond Constanciel and Raymond
Daudel and Philemon Kottis",
title = "Aspects of the Localizability of Electrons in Atoms
and Molecules: Loge Theory and Related Methods",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "93--141",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60542-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605420",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "Introduction 94 \\
I. Origin of the Concept of Loge 95 \\
H. Rigorous Definition of the Best Partition into
Loges. Simple Applications 98 \\
III. From a Wave Function to the Corresponding Best
Division into Loges 105 \\
IV. Using a Division into Loges as a Starting Point to
Calculate Elaborate Wave Functions 115 \\
V. Applications 124 \\
VI. Localized Excitons and Loges in Large Molecules or
in Molecular Aggregates 129 \\
References 139",
}
@Article{Caldwell:1972:MCD,
author = "Dennis J. Caldwell and Henry Eyring",
title = "Magnetic Circular Dichroism and Diamagnetic
Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "143--158",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60543-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605432",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "This article did not have its own table of contents.",
}
@Article{Basu:1972:CEO,
author = "Sadhan Basu and Purnendranath Sen",
title = "Collective Electron Oscillation in Pi-Electron
Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "159--175",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60544-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605444",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 159 \\
II. Tomonaga Gas Model 160 \\
III. Collective Oscillation in Pi-Electron System in
Aromatic Hydrocarbons 166 \\
IV. Collective Oscillation in Linear Conjugated
Molecules 168 \\
V. Collective Oscillation and Configuration Interaction
170 \\
VI. One-Dimensional Collective Oscillation and Plasma
Oscillation 171 \\
VII. Concluding Remarks 174 \\
References 175",
}
@Article{Fujimoto:1972:MOT,
author = "Hiroshi Fujimoto and Kenichi Fukui",
title = "Molecular Orbital Theory of Chemical Reactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "177--201",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60545-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605456",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 177 \\
II. Chemical Interaction Energy between Two Systems 178
\\
III. Charge-Transfer Interaction in Chemical Reactions
184 \\
IV. Charge-Transfer Interaction and Molecular
Deformation 186 \\
V. Charge-Transfer Interaction and Orientation 189 \\
VI. Intramolecular Reactions 197 \\
VII. Charge-Transfer Interaction and Bond Interchange
198 \\
References 200",
}
@Article{Linder:1972:UTV,
author = "Bruno Linder and David A. Rabenold",
title = "Unified Treatment of {van der Waals} Forces between
Two Molecules of Arbitrary Sizes and Electron
Delocalizations",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "203--233",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60546-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605468",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 203 \\
II. Generalized Susceptibility Theory 205 \\
III. The Free Energy of Interaction 211 \\
IV. The Dipolar Approximation 221 \\
V. Relation to Other Theories 224 \\
VI. Harmonic Oscillators 229 \\
VII. Summary and Conclusions 231 \\
References 233",
}
@Article{Davidson:1972:NO,
author = "Ernest R. Davidson",
title = "Natural Orbitals",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "235--266",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60547-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860547X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 235 \\
II. General Properties 235 \\
III. Two-Electron Wave Functions 244 \\
IV. Few-Electron Wave Functions 258 \\
References 263",
}
@Article{Ruedenberg:1972:MED,
author = "Klaus Ruedenberg and Ronald D. Poshusta",
title = "Matrix Elements and Density Matrices for Many-Electron
Spin Eigenstates Built from Orthonormal Orbitals",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "267--298",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60548-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605481",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 268 \\
II. $N$-Electron Basis Functions 270 \\
III. Matrix Elements for $p$-Electron Operator 274 \\
IV. Matrix Elements for Special Cases 287 \\
V. Density Matrices 291 \\
VI. Special Density Matrices 295 \\
References 297",
}
@Article{Weinhold:1972:ULB,
author = "F. Weinhold",
title = "Upper and Lower Bounds to Quantum-Mechanical
Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "299--331",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60549-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605493",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 299 \\
II. Currently Available Procedures 335 \\
III. Upper and Lower Bounds to Properties 311 \\
IV. Conclusion 327 \\
References 328",
}
@Article{Christoffersen:1972:ICL,
author = "Ralph E. Christoffersen",
title = "{{\em Ab Initio}} Calculations on Large Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "333--393",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60550-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860550X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 333 \\
II. Currently Available Procedures 335 \\
III. Molecular Fragment Approach 360 \\
IV. Discussion 389 \\
Glossary 390 \\
References 391",
}
@Article{Anonymous:1972:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "395--408",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60551-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605511",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1972:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "409--413",
year = "1972",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1972:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "iv--iv",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60538-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605389",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1972:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "xii--xvi",
year = "1972",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:04:14 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1972:CV,
author = "Anonymous",
title = "Contributors to This Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "??--??",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60536-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605365",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1972:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "ix--x",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60539-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605390",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1972:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "6",
pages = "xi--xii",
year = "1972",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60540-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605407",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Steinborn:1973:RTR,
author = "E. O. Steinborn and K. Ruedenberg",
title = "Rotation and Translation of Regular and Irregular
Solid Spherical Harmonics",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "1--81",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60558-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605584",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 2 \\
II. Solid Spherical Harmonics 8 \\
III. Transformation of Spherical Harmonics under
Rotations 27 \\
IV. Transformation of Solid Spherical Harmonics under
Translation 46 \\
Appendix: List of Some Notations 77 \\
References 79",
}
@Article{Steinborn:1973:MIB,
author = "E. O. Steinborn",
title = "Molecular Integrals between Real and between Complex
Atomic Orbitals",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "83--112",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60559-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605596",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 83 \\
II. Integrals between Real MO's Represented by
Integrals between Complex AO's 85 \\
III. Integrals between Real MO's Represented by
Integrals between Real AO's 98 \\
IV. Integrals between Real MO's Represented by
Integrals between Real and Imaginary Parts of Complex
Charge Distributions 104 \\
V. Overlap Integrals between Real MO's 108 \\
References 112",
}
@Article{Gallup:1973:SGC,
author = "G. A. Gallup",
title = "The Symmetric Groups and Calculation of Energies of
$n$ -Electron Systems in Pure Spin States",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "113--141",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60560-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
nhfb-allref.bib",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605602",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 113 \\
II. Representations of $S_n$ Young Operators, and the
Variational Problem 115 \\
III. Mathematical Properties of $\Theta N^\alpha
P^\alpha N^\alpha \phi$ 126 \\
IV. Symmetric Adaptation of Spin Functions 134 \\
V. The Complete Antisymmetric Space-Spin Wave Function
136 \\
VI. Conclusion 139 \\
References 140",
}
@Article{Johnson:1973:SWT,
author = "Keith H. Johnson",
title = "Scattered-Wave Theory of the Chemical Bond",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "143--185",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60561-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605614",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I Introduction 143 \\
II. The SCF-X$\alpha$ Scattered-Wave Method 146 \\
III. Application to Polyatomic Molecules 159 \\
IV. Applications to Deep-Level Impurities in
Semiconductors 173 \\
V. Applications to Metal Bonding in Enzymes and
Proteins 176 \\
VI. Discussion 179 \\
Appendix: Derivation of Scattered-Wave Expansion
Theorems 180 \\
References 183",
}
@Article{Huzinaga:1973:POH,
author = "Sigeru Huzinaga and Denis McWilliams and Antonio A.
Cantu",
title = "Projection Operators in {Hartree--Fock} Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "187--220",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60562-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
nhfb-allref.bib",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605626",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I Introduction 187 \\
II. The Properties of Virtual Orbitals 189 \\
III. Mathematical Background 199 \\
IV. Theory of Separability of Many-Electron Systems 204
\\
V. Concluding Remarks 217 \\
Appendix 218 \\
References 220",
}
@Article{Green:1973:AIP,
author = "A. E. S. Green",
title = "An Analytic Independent Particle Model for Atoms. {I}.
{Initial} Studies",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "221--262",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60563-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605638",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 221 \\
II. Analytic Representations of the Thomas--Fermi
Potential 223 \\
III. The Phenomenological Model of GSZ 226 \\
IV. The Relativistic IPM Model 231 \\
V. The Thomas--Fermi--Dirac Energy Functional Model 234
\\
VI. Electron--Atom Elastic Scattering 241 \\
VII. Electron Impact Excitation Cross Sections 244 \\
VIII. Distorted Wave Calculation of Excitation Cross
Sections 252 \\
IX. Summary, Discussion, and Conclusions 259 \\
References 261",
}
@Article{Bass:1973:AIP,
author = "J. N. Bass and A. E. S. Green and J. H. Wood",
title = "An Analytic Independent Particle Model for Atoms.
{II}. {Modified} {Hartree--Fock} Calculations for
Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "263--275",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60564-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860564X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 277 \\
II. Formulation of Variational Problems 264 \\
III. Calculational Procedures 265 \\
IV. Results and Discussion 266 \\
V. The Statistical Exchange Energy 273 \\
VI. Conclusions 274 \\
References 275",
}
@Article{Berg:1973:AIP,
author = "R. A. Berg and A. E. S. Green",
title = "An Analytic Independent Particle Model for Atoms.
{III}. {Ionization} of Rare Gas Atoms by Electrons in
the {Born} Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "277--288",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60565-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605651",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 277 \\
II. GOS Formalism for Ionization 278 \\
III. Calculational Results 279 \\
IV. Illustrative Results 282 \\
V. Cross Sections 284 \\
VI. Conclusion and Discussion 287 \\
References 287",
}
@Article{Amos:1973:SSE,
author = "A. T. Amos and B. L. Burrows",
title = "Solvent-Shift Effects on Electronic Spectra and
Excited-State Dipole Moments and Polarizabilities",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "289--313",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60566-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605663",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 289 \\
II. Solvent--Solute Interactions 290 \\
III. The Reaction-Field Method 292 \\
IV. Abe's Theory 297 \\
V. The Dispersion Term 301 \\
VI. Some Applications 303 \\
Appendix 1 308 \\
Appendix 2 309 \\
Appendix 3 311 \\
References 312",
}
@Article{Hurley:1973:THF,
author = "A. C. Hurley",
title = "Thermochemistry in the {Hartree--Fock} Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "315--334",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60567-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605675",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 315 \\
II. Hartree--Fock Total Energies to Near Chemical
Accuracy 316 \\
III. Hartree--Fock Binding Energies 324 \\
IV. Conditions for the Invariance of the Correlation
Energy 325 \\
V. Reference States for the Elements 328 \\
VI. Hartree--Fock Enthalpies of Formation 329 \\
VII. Simpler SCF Calculations 332 \\
References 333",
}
@Article{Rein:1973:PPI,
author = "Robert Rein",
title = "On Physical Properties and Interactions of Polyatomic
Molecules: With Application to Molecular Recognition in
Biology",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "335--396",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60568-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605687",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 335 \\
II. Method 340 \\
III. Analysis of Wave Functions 354 \\
IV. On the Problem of Convergence and Molecular Moment
Representations 379 \\
V. Applications to Problems of Molecular Recognition in
Biology 385 \\
VI. Discussion and Summary 392 \\
References 393",
}
@Article{Ladik:1973:QTD,
author = "J{\'a}nos J. Ladik",
title = "Quantum Theory of {DNA}: Summary of Results and Study
Program",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "397--445",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60569-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605699",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 397 \\
II. Methods 398 \\
III. Review of Results 411 \\
IV. Study Program 436 \\
References 441",
}
@Article{Anonymous:1973:AI,
author = "Anonymous",
title = "Author Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "447--454",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60570-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605705",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1973:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "455--457",
year = "1973",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1973:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "iv--iv",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60555-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605559",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1973:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "xiii--xvi",
year = "1973",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 11:57:41 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1973:CV,
author = "Anonymous",
title = "Contributors to This Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "??--??",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60553-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605535",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1973:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "ix--x",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60556-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605560",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1973:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "7",
pages = "xi--xii",
year = "1973",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60557-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605572",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Serre:1974:SGN,
author = "J. Serre",
title = "Symmetry Groups of Nonrigid Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "1--36",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60058-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600581",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. Theory 3 \\
III. Applications 12 \\
Appendix 1: Semidirect Product 29 \\
Appendix 2: Three Theorems 29 \\
References 34",
}
@Article{Salmon:1974:GES,
author = "William I. Salmon",
title = "Genealogical Electronic Spin Eigenfunctions and
Antisymmetric Many-Electron Wavefunctions Generated
Directly from {Young} Diagrams",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "37--94",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60059-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600593",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 38 \\
II. Genealogical Spin Functions 42 \\
III. Spin Functions by Group-Theoretical Techniques 48
\\
IV. Generating Genealogical Spin Functions from Young
Diagrams 56 \\
V. Proofs for Section IV 72 \\
VI. Generating Antisymmetric Many-Electron
Wavefunctions from Conjugate Young Diagrams 83 \\
References 92",
}
@Article{DelRe:1974:CPP,
author = "Giuseppe {Del Re}",
title = "Current Problems and Perspectives in the {MO--LCAO}
Theory of Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "95--136",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60060-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860060X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 95 \\
II. Interpretation vs. Computation 96 \\
III. Problems of Theoretical Chemistry 100 \\
IV. The Basis Problem 102 \\
V. Model Treatments of Molecules 108 \\
VI. A Hamiltonian for a Reference Model 112 \\
VII. The MO-LCMVAO Model 117 \\
VIII. Old and New Concepts and an Outlook for the
Future 125 \\
Appendix 129 \\
References 134",
}
@Article{Jorgensen:1974:PSS,
author = "Christian Klixb{\"u}ll J{\o}rgensen",
title = "Photoelectron Spectra Showing Relaxation Effects in
the Continuum and Electrostatic and Chemical Influences
of the Surrounding Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "137--182",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60061-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600611",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Photoelectron Spectrometry of Gaseous and Solid
Samples 137 \\
II. Orbital Ionization Energies and Anti-Koopmans
Relaxation of the Other Orbitals 143 \\
III. Hartree and Madelung Potentials, Electric and
Chemical Polarizability of the Neighbor Atoms 150 \\
IV. Experimental Data and the Softness Scale According
to Pearson 155 \\
V. What Are One-Electron Energies in Ligand Field
Theory? 164 \\
VI. The Question of Time-Scale and the Manne Effect 174
\\
References 179",
}
@Article{Berthier:1974:SRD,
author = "G. Berthier",
title = "Some Recent Developments in the Theory of Coordination
Compounds of Metals",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "183--230",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60062-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600623",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. The Concept of Dative Bonds 183 \\
II. Classical Descriptions of the Electronic Structure
of Coordination Compounds 184 \\
III. Quantum-Mechanical Treatments of Coordination
Compounds 194 \\
IV. Present Status of Descriptive Models in Inorganic
Chemistry 207 \\
References 227",
}
@Article{Micha:1974:EHM,
author = "David A. Micha",
title = "Effective {Hamiltonian} Methods for Molecular
Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "231--287",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60063-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600635",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 231 \\
II. Collision States and Transition Probabilities 233
\\
III. The Partitioning Method 246 \\
IV. Approximation Techniques 254 \\
V. Scattering Resonances 263 \\
VI. Optical Potentials 275 \\
VII. Conclusions 283 \\
References 284",
}
@Article{Anonymous:1974:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "289--291",
year = "1974",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1974:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "iv--iv",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60054-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600544",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1974:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "xiii--xvii",
year = "1974",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Tue Jan 09 17:03:33 2001",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1974:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "ix--ix",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60055-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600556",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1974:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "8",
pages = "xi--xii",
year = "1974",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60056-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600568",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{OLeary:1975:UTM,
author = "Brian O'Leary and Brian J. Duke and James E. Eilers",
title = "Utilization of Transferability in Molecular Orbital
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "1--67",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60038-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600386",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. General Introduction 1 \\
II. Transferability of Fock Matrix Elements 4 \\
III. Localized Orbitals 41 \\
IV. Improved SCF Cycling 58 \\
V. General Conclusions 60 \\
References 63",
}
@Article{Peyerimhoff:1975:SES,
author = "Sigrid D. Peyerimhoff and Robert J. Buenker",
title = "A Series of Electronic Spectral Calculations Using
Nonempirical {CI} Techniques",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "69--104",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60039-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600398",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 69 \\
II. Importance of the AO Basis in Excited State
Calculations 70 \\
III. Use of the SCF Method for the Description of
Excited States 74 \\
IV. Use of CI Methods in Electronic Spectral
Calculations 77 \\
V. Electronic Spectra of Systems with Twelve Valence
Electrons 83 \\
VI. Outlook for Future Calculations 97 \\
References 102",
}
@Article{Paldus:1975:TID,
author = "J. Paldus and J. {\v{C}}{\'\i}{\v{z}}ek",
title = "Time-Independent Diagrammatic Approach to Perturbation
Theory of {Fermion} Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "105--197",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60040-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600404",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "Introduction 106 \\
II. Rayleigh--Schr{\"o}dinger Perturbation Theory for a
Nondegenerate Level 109 \\
III. Diagrammatic Method 116 \\
IV. Diagrams for Perturbation Theory 127 \\
V. Perturbation Theory for Excitation Energies of
Closed-Shell Systems 148 \\
VI. General Explicit Formulas for the Second- and
Third-Order Excitation Energy Contributions 158 \\
VII. Perturbation Theory for the Ionization Potentials
and Electron Affinities 169 \\
VIII. Conclusions 177 \\
Appendix A. Bracketing Technique 178 \\
Appendix B. Time-Independent Second Quantization
Formalism 180 \\
Appendix C. The Generalized Time-Independent Wick
Theorem 187 \\
Appendix D. Normal Product Form of the Operators 188
\\
Appendix E. Sign Rule 190 \\
Appendix F. Linked Cluster Theorem and EPV Diagrams 192
\\
References 195",
xxpages = "106--197",
}
@Article{Lester:1975:CCS,
author = "William A. {Lester, Jr.}",
title = "Coupled-Channel Studies of Rotational and Vibrational
Energy Transfer by Collision",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "199--214",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60041-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600416",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 199 \\
II. Potential Energy Surfaces 201 \\
III. Coupled Equations 202 \\
IV. Cross Sections 208 \\
V. Concluding Remarks 212 \\
References 212",
}
@Article{Nesbet:1975:TLE,
author = "R. K. Nesbet",
title = "Theory of Low Energy Electron Scattering by Complex
Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "215--297",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60042-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600428",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 215 \\
II. Structure of the Wavefunction 218 \\
III. Interpretation of the Wavefunction 226 \\
IV. Variational Formalism 232 \\
V. Resonances and Threshold Effects 240 \\
VI. Theoretical Methods 256 \\
VII. Applications 266 \\
References 293",
}
@Article{Anonymous:1975:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "299--300",
year = "1975",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1975:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "301--304",
year = "1975",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1975:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "iv--iv",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60035-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600350",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1975:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "vii--viii",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60036-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600362",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1975:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "9",
pages = "ix--x",
year = "1975",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60037-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600374",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Coppens:1977:AXR,
author = "Philip Coppens and Edwin D. Stevens",
title = "Accurate {X}-Ray Diffraction and Quantum Chemistry:
The Study of Charge Density Distributions",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "1--35",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60577-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605778",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. Definition of Density Functions 2 \\
III. Theory of X-Ray Scattering and the Derivation of
Electron Densities from X-Ray Scattering Amplitudes 4
\\
IV. Experimental Errors 7 \\
V. Some Experimental Densities 8 \\
VI. Theoretical Densities 20 \\
VII. Comparison of Theoretical and Experimental
Densities. Thermal Smearing 22 \\
VIII. Functions Based on Experimental Densities 25 \\
IX. Concluding Remarks 32 \\
References 33",
}
@Article{Kaijser:1977:EMD,
author = "Per Kaijser and Vedene H. {Smith, Jr.}",
title = "Evaluation of Momentum Distributions and {Compton}
Profiles for Atomic and Molecular Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "37--76",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60578-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860578X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 371 \\
II. Dirac-Fourier Transformation of Position Space
Wavefunctions and One-Particle Density Matrices 40 \\
III. Dirac-Fourier Transformation of Atomic Orbitals 44
\\
IV. Evaluation of the Momentum Density $\rho(\boldmath
p)$ 58 \\
V. E\aluation of the Directional Compton Profile
$J(\boldmath q)$ 62 \\
VI. The Spherically Averaged Momentum Density
$\overbar{\rho(p)}$ and the Isotropic Compton Profile
$\overbar{J(q)}$ 71 \\
VII. Concluding Remarks 73 \\
References 74",
}
@Article{Kleinpoppen:1977:AEA,
author = "Hans Kleinpoppen",
title = "Analysis of Electron--Atom Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "77--141",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60579-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605791",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 77 \\
II. Polarization of Impact Radiation 78 \\
III. Spin Effects in Electron--Atom Collisions 92 \\
IV. Electron-Photon Coincidences and Angular
Correlations 114 \\
V. Coherent Electron-Impact Excitation of Atomic
Hydrogen 131 \\
VI. Electron Scattering from Laser-Excited Atoms 132
\\
References 139",
}
@Article{Katriel:1977:TIH,
author = "Jacob Katriel and Ruben Pauncz",
title = "Theoretical Interpretation of {Hund}'s Rule",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "143--185",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60580-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605808",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 143 \\
II. Scaled Atomic Orbitals 147 \\
III. Optimized Atomic Orbitals 153 \\
IV. Inclusion of the Correlation Correction 156 \\
V. The $1/Z$ Perturbation Theory 157 \\
VI. Role of Inner Shells 160 \\
VII. The Pair Distribution Function 162 \\
VIII. An Interpretation of Hund's Rule 176 \\
Appendix A: Screening in $(n,l)^k$-Type Configurations
180 \\
Appendix B: The Pair Distribution Function 181 \\
References 184",
}
@Article{Brandow:1977:LCP,
author = "B. H. Brandow",
title = "Linked-Cluster Perturbation Theory for Closed- and
Open-Shell Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "187--249",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60581-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860581X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 188 \\
II. Degenerate Brillouin--Wigner Perturbation Theory
190 \\
III. The Linked-Cluster Expansion for Closed-Shell
Systems 192 \\
IV. Physical Interpretation and General Philosophy of
Applications 201 \\
V. Further Closed-Shell Results 204 \\
VI. Open-Shell Systems--A General Formalism for Model
Hamiltonians and Model Operators 220 \\
VII. Formal Derivation of Effective Spin Hamiltonians
237 \\
References 246",
}
@Article{Pullman:1977:QMA,
author = "Bernard Pullman",
title = "Quantum-Mechanical Approach to the Conformational
Basis of Molecular Pharmacology",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "251--328",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60582-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605821",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 251 \\
II. Histamine 259 \\
III. Antihistamines 268 \\
IV. Serotonin and Related Indolealkylamines 275 \\
V. Phenethylamines and Phenethanolamines 281 \\
VI. Acetylcholine 289 \\
VII. Conformation of Acetylcholine in Solution 297 \\
VIII. Acetylcholine Derivatives and Analogs 302 \\
IX. Conclusions 314 \\
Addendum 323 \\
References 323",
}
@Article{Anonymous:1977:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "329--333",
year = "1977",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1977:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "335--338",
year = "1977",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1977:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "iv--iv",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60574-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605742",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1977:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "??--??",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60572-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605729",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1977:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "ix--ix",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60575-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605754",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1977:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "10",
pages = "xi--xii",
year = "1977",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60576-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605766",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bonham:1978:EMC,
author = "R. A. Bonham and J. S. Lee and R. Kennerly and W. {St.
John}",
title = "Experimental Measurements of Charge and Momentum
Densities, Generalized Oscillator Strengths, and
Excitation Frequencies",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "1--32",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60232-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602324",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. The Bethe--Born Theory of Inelastic Electron
Scattering and the Bethe Surface 4 \\
III. Elastic Scattering and One-Electron Charge
Densities 8 \\
IV. Inelastic Scattering and the Electron Pair
Correlation Function 12 \\
V. Forbidden Transitions and High-Momentum Transfer
Spectroscopy 13 \\
VI. Compton Profile Measurements and Momentum
Distributions 14 \\
VII. Inner-Shell Spectroscopy and Extended X-Ray
Absorption Fine Structure 20 \\
VIII. Pulsed Electron Beam Time-of-Flight Spectroscopy
24 \\
References 31",
}
@Article{Basu:1978:CLE,
author = "Sadhan Basu",
title = "Convergence Limit in the Electronic Spectra of Linear
Polyenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "33--49",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60233-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602336",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 33 \\
II. Bond Alternation and Brillouin Gap 35 \\
III. Electronic Spectra of Polyene Mono- and Dinegative
Ions: Incompleteness of Bond Alternation Theory 37 \\
IV. Many-Electron System and Hartree--Fock--Boglyubov
Equation Gap 40 \\
V. Convergence Limit and Electron-Pairing Interaction
43 \\
VI. Mechanism of Pairing Interaction 45 \\
VII. Concluding Remarks 47 \\
References 48",
}
@Article{Jorgensen:1978:KIS,
author = "Christian Klixb{\"u}ll J{\o}rgensen",
title = "Kossel Isoelectronic Series and Photoelectron
Spectra",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "51--91",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60234-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602348",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 51 \\
II. Classificatory Aspects of Electron Configurations
53 \\
III. Arguments Derived from Atomic Spectra 55 \\
IV. Closed Shells as the Neutral Element of Vector
Coupling 58 \\
V. Chemical Isoelectronic Series 62 \\
VI. Photoelectron Data for Ionization of Inner Shells
69 \\
VII. External Screening: Madelung and Relaxation
Energies 75 \\
VIII. The Atomic Spectroscopist and Chemical Bonding 79
\\
IX. K as an Analogy to Russell-Sanders Coupling 85 \\
References 88",
}
@Article{Caldwell:1978:LOS,
author = "Dennis Caldwell and Henry Eyring",
title = "Localized Orbitals in Spectroscopy",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "93--114",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60235-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860235X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 93 \\
II. Localization Methods 97 \\
III. General Applications 104 \\
IV. Conclusions 112 \\
References 113",
}
@Article{Scrocco:1978:EMS,
author = "Eolo Scrocco and Jacopo Tomasi",
title = "Electronic Molecular Structure, Reactivity and
Intermolecular Forces: An Euristic Interpretation by
Means of Electrostatic Molecular Potentials",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "115--193",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60236-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602361",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Electrostatics and Molecular Interactions 116
\\
II. The Shape of the Electrostatic Potential and Its
Relationship to Electronic Molecular Structure 125 \\
III. The Electrostatic Molecular Potential in Terms of
Local Group Contributions 139 \\
IV. Electrostatic Potential and Chemical Reactivity 148
\\
V. Electrostatics and Effect of a Lattice Field on
Properties of a Molecular Ion 166 \\
VI. The Electrostatic Potential in Excited Electronic
States 172 \\
VII. Approximations to Calculation of $V$ and $E_{es}$.
181 \\
References 190",
xxpages = "116--193",
}
@Article{Yamabe:1978:CEP,
author = "Tokio Yamabe and Akitomo Tachibana and Kenichi Fukui",
title = "Complex Eigenvalue Problems in Atoms and Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "195--221",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60237-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602373",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 195 \\
II. Kapur--Peierls Eigenvalue Problem 197 \\
III. Coupled Equations Theory 202 \\
IV. Comments on Recent Developments 213 \\
References 218",
}
@Article{Matsen:1978:UGM,
author = "F. A. Matsen",
title = "The Unitary Group and the Many-Body Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "223--250",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60238-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602385",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 223 \\
II. Matrix Element Evaluation 226 \\
III. The Hartree--Fock Theory 230 \\
IV. The Superoperator Theory 233 \\
V. The Random-Phase Approximation 242 \\
VI. Green's Function 246 \\
VII. Summary 249 \\
References 250",
}
@Article{Drukarev:1978:ZRP,
author = "G. Drukarev",
title = "The Zero-Range Potential Model and Its Application in
Atomic and Molecular Physics",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "251--274",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60239-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602397",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 251 \\
II. Basic Relations 252 \\
III. Applications 259 \\
References 274",
}
@Article{Oddershede:1978:PPC,
author = "Jens Oddershede",
title = "Polarization Propagator Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "275--352",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60240-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
nhfb-allref.bib",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602403",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 275 \\
II. Polarization Propagator Method 277 \\
III. Electronic Spectra 294 \\
IV. Second-Order Response Properties and Sum Rules 311
\\
V. Ground-State Correlation Energies 322 \\
Appendix A. Bibliography of ab initio RPA-like
Calculations 333 \\
Appendix B. A Comparison of Analytic with Diagrammatic
RPA 334 \\
References 345",
}
@Article{Pyykko:1978:RQC,
author = "Pekka Pyykk{\"o}",
title = "Relativistic Quantum Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "353--409",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60241-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602415",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 354 \\
II. The Hamiltonian 356 \\
III. Atoms and Solids 363 \\
IV. Relativistic Molecular Orbitals 370 \\
V. One-Electron Systems 372 \\
VI. Dirac-Fock Calculations 372 \\
VII. Dirac--Slater Calculations 376 \\
VIII. Semiempirical Calculations 380 \\
IX. Perturbation Calculations 382 \\
X. Theories for Spectroscopic Properties 387 \\
XI. Relativity and the Periodic Table 389 \\
XII. Conclusion 398 \\
References 399",
}
@Article{Sperber:1978:FET,
author = "Gunnar Sperber",
title = "Fundamentals of Equilibrium Thermodynamics and
Statistical Mechanics",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "411--478",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60242-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602427",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Fundamental Concepts of Equilibrium
Thermodynamics 411 \\
II. State Derivatives 421 \\
III. General Properties of Equilibrium Surfaces. Phase
Transformations 426 \\
IV. Fundamental Concepts of Equilibrium Statistical
Mechanics 432 \\
V. The Ideal Gas under Maxwell--Boltzmann Conditions
444 \\
VI. Measurement of Thermodynamic Quantities 448 \\
VII. Equilibrium in Subsystems that are in Contact with
Reservoirs 450 \\
VIII. Chemical Equilibrium 451 \\
IX. The Canonical Ensemble Formalism in Statistical
Mechanics 455 \\
X. Treatment of Ideal Gases by Means of the
Grand-Canonical Ensemble Method. Remarks on the
Statistical Mechanics of Assemblies of Interacting
Particles 465 \\
XI. Equilibrium Fluctuations in Nonconserved Quantities
473 \\
References 478",
}
@Article{Anonymous:1978:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "479--482",
year = "1978",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1978:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "483--487",
year = "1978",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 09:41:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1978:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "iv--iv",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60229-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602294",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1978:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "ix--x",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60230-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602300",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1978:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "11",
pages = "xi--xii",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60231-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602312",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bishop:1980:AOT,
author = "David M. Bishop and Lap M. Cheung",
title = "Accurate One- and Two-Electron Diatomic Molecular
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "1--42",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60312-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603123",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. Born--Oppenheimer Calculations 5 \\
III. Relativistic and Radiative Corrections 16 \\
IV. Adiabatic Calculations 18 \\
V. Nonadiabatic Calculations 24 \\
VI. The Outlook for the Future 38 \\
References 39",
}
@Article{IHaya:1980:VAO,
author = "Y. J. I'Haya and Tetsuo Morikawa",
title = "Variational Approach to Orthogonality and Normality of
Basis Ket-Vectors",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "43--63",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60313-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603135",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 43 \\
II. Orthonormality-Constrained Variation (ONCV) for
Ket-Vectors 45 \\
III. Maximum and Minimum Orbitals 53 \\
IV. Unitary Transformation and ONCV 58 \\
V. Variational Method for a Pair of Basis Sets 59 \\
References 62",
}
@Article{Andre:1980:QMM,
author = "Jean-Marie Andr{\'e}",
title = "Quantum Mechanical Methods for Regular Polymers",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "65--102",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60314-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603147",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction \\
II. LCAO Methods for Band Structure Calculations of
Polymers 67 \\
III. Applications of LCAO Methods to Stereoregular
Polymers 84 \\
IV. Conclusion 99 \\
References 99",
}
@Article{Simonetta:1980:CAT,
author = "M. Simonetta and A. Gavezzotti",
title = "The Cluster Approach in Theoretical Study of
Chemisorption",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "103--158",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60315-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603159",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 103 \\
II. Methods of Calculation \\
III. Results 118 \\
IV. Adsorbate Crystallography 145 \\
V. Dynamical Studies 148 \\
VI. Conclusions 153 \\
References 154",
}
@Article{Carbo:1980:OSS,
author = "Ramon Carb{\'o} and Odd Gropen",
title = "Open Shell {SCF} Theory: An {{\em ab Initio}} Study of
Some Interstellar Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "159--187",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60316-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603160",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 159 \\
II. Open Shell SCF Theory 160 \\
III. Interstellar Molecules 169 \\
Appendix. State Parameters 184 \\
References 185",
}
@Article{Mayer:1980:SPE,
author = "Istv{\'a}n Mayer",
title = "The Spin-Projected Extended {Hartree--Fock} Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "189--262",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60317-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603172",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 190 \\
II. Some Theoretical Aspects of the EHF Method: A
Survey 195 \\
III. The EHF Equations 220 \\
IV. Some Applications of the EHF Method 239 \\
V. Concluding Remarks 252 \\
References 256",
}
@Article{Lowdin:1980:MSC,
author = "Per-Olov L{\"o}wdin",
title = "Molecular Structure Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "263--316",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60318-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603184",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Importance of the Schr{\"o}dinger Equation 264
\\
II. Calculation of Approximate Eigenfunctions 266 \\
III. Computational Problems in Molecular Studies 286
\\
IV. Some Trends in Current Molecular Structure
Calculations 290 \\
V. Some Current Problems and Aspects for the Future 298
\\
Note Added in Proof 311 \\
References 312",
}
@Article{Anonymous:1980:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "317--320",
year = "1980",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 14:00:19 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1980:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "321--325",
year = "1980",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 14:00:19 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1980:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "iv--iv",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60309-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603093",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1980:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "??--??",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60307-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860307X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1980:LC,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "vii--vii",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60310-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860310X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1980:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "12",
pages = "ix--x",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60311-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603111",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ohrn:1981:MEP,
author = "Y. {\"O}hrn and G. Born",
title = "Molecular Electron Propagator Theory and
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "1--88",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60291-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602919",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 2 \\
II. Basic Definitions and Notations 3 \\
III. Moment-Conserving Decouplings 9 \\
IV. Diagram-Conserving Decouplings 23 \\
V. Renormalized Decouplings 42 \\
VI. Photoionization Intensities 57 \\
VII. Conclusions 79 \\
Appendix 1 82 \\
Appendix 2 83 \\
Appendix 3 84 \\
References 84",
}
@Article{Slanina:1981:CIC,
author = "Zden{\v{e}}k Slanina",
title = "Chemical Isomerism and Its Contemporary Theoretical
Description",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "89--153",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60292-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602920",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 89 \\
II. Quantum-Chemical Picture of Isomerism 91 \\
III. Quantum Theory and Isomerism 102 \\
IV. The Algebraic Aspects of Isomerism 106 \\
V. Isomerism and the Theory of Chemical Reactivity 113
\\
VI. Concluding Remarks 142 \\
References 143 \\
Note Added in Proof 153",
}
@Article{Klahn:1981:RLI,
author = "Bruno Klahn",
title = "Review of the Linear Independence Properties of
Infinite Sets of Functions Used in Quantum Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "155--209",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60293-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602932",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 155 \\
II. Expansions in Finite-Dimensional Unitary Spaces 159
\\
III. Criteria of Linear Independence in
Infinite-Dimensional Hilbert Spaces 162 \\
IV. Invariance Properties of Infinite Sets of Functions
195 \\
Appendix A. Completeness and Minimality Properties of
the Sets (40a) and (40b) 205 \\
Appendix B. The BOS of the Pekeris Basis Set in
$S-W_2^{1}$ (${\bf R}^6$) 206 \\
Appendix C. Proof of Inequality (105) 207 \\
References 208",
}
@Article{Yan:1981:SRG,
author = "Ji-Min Yan",
title = "Symmetry Rules in the Graph Theory of Molecular
Orbitals",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "211--241",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60294-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602944",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 211 \\
II. Characteristic Polynomials $G(x)$ 212 \\
III. Plane Symmetry 217 \\
IV. Axis Symmetry--No Atom on the Symmetry Axis 222 \\
V. Axis Symmetry--Atoms on the Symmetry Axis 226 \\
VI. Center Symmetry 229 \\
VII. Conjugated Polymers 231 \\
VIII. Extending to Stereomolecules and $\sigma$ Bonds
235 \\
References 240",
xxauthor = "Chi-Min Yen",
}
@Article{Anonymous:1981:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "243--245",
year = "1981",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:30:25 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1981:CPVa,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "246--251",
year = "1981",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:30:25 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1981:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "iv--iv",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60288-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602889",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1981:CVa,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "??--??",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60286-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602865",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1981:LCa,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "vii--vii",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60289-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602890",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1981:Pa,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "13",
pages = "ix--x",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60290-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602907",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kryachko:1981:SPR,
author = "Eugene S. Kryachko",
title = "Symmetry Properties of Reduced Density Matrices",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "1--61",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60325-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603251",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 1 \\
II. Spin Symmetry of Reduced Fermion Density Matrices 3
\\
III. Orbital Symmetry 17 \\
IV. Permutational Symmetry Properties 30 \\
V. $G$-Symmetry 42 \\
VI. Symmetry Properties of Natural Orbitals and
Geminals 47 \\
VII. Calculations of 1- and 2-Matrices of Projected
Wave Functions 52 \\
VIII. Discussion 58 \\
References 59 \\
Note Added in Proof 61",
}
@Article{Bader:1981:QTA,
author = "R. F. W. Bader and T. T. Nguyen-Dang",
title = "Quantum Theory of Atoms in Molecules --- {Dalton}
Revisited",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "63--124",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60326-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603263",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 63 \\
II. The Topological Atom 67 \\
III. Variational Properties of Open Systems 74 \\
IV. Variational Basis for Atomic Properties 90 \\
V. Atomic Properties 102 \\
VI. Discussion 119 \\
References 122",
}
@Article{Dinesha:1981:GTT,
author = "K. V. Dinesha and C. R. Sarma and S. Rettrup",
title = "Group Theoretical Techniques and the Many-Electron
Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "125--168",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60327-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603275",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 125 \\
II. Spin-Free CI Studies and the Permutation Group 128
\\
III. Unitary Group Approaches and Many-Electron Systems
130 \\
IV. Conclusion 165 \\
References 166",
}
@Article{Shoemaker:1981:FRC,
author = "Curtis L. Shoemaker and Robert E. Wyatt",
title = "{Feshbach} Resonances in Chemical Reactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "169--240",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60328-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603287",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 169 \\
II. Time-Independent Resonance Theory 171 \\
III. Time-Dependent Theory 225 \\
IV. Summary 234 \\
Appendix A: Symmetry of the Matrix Representation of
the Level Shift Operator 235 \\
Appendix B: Generation of the Propagation Matrix 236
\\
References 239",
}
@Article{Anonymous:1981:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "241--242",
year = "1981",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:38:21 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1981:CPVb,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "243--248",
year = "1981",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:38:21 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1981:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "iv--iv",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60322-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603226",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1981:CVb,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "??--??",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60320-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603202",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1981:LCb,
author = "Anonymous",
title = "List of Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "vii--vii",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60323-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603238",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1981:Pb,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "14",
pages = "ix--x",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60324-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860324X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Basilevsky:1982:QDL,
author = "M. V. Basilevsky and V. M. Ryaboy",
title = "Quantum Dynamics of Linear Triatomic Reactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "1--83",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60121-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601215",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 1 \\
II. The Description of a Linear Exchange Reaction in
Different Coordinate Systems 3 \\
III. One-Dimensional Matrix Hamiltonian 16 \\
IV. One-Dimensional Reactive Scattering 25 \\
V. Quantum Calculations of Triatomic Reactions 38 \\
VI. Approximations and Models 50 \\
VII. Multichannel Resonances in Reactive Scattering 69
\\
References 79",
}
@Article{Bersuker:1982:VIJ,
author = "I. B. Bersuker and V. Z. Polinger",
title = "Vibronic Interactions and the {Jahn--Teller} Effect",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "85--160",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60122-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601227",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 85 \\
II. The Vibronic Hamiltonian. The Jahn--Teller Theorem
87 \\
III. Solutions of Vibronic Equations 117 \\
IV. The Multimode JT Effect 143 \\
V. Concluding Remarks 156 \\
References 158",
}
@Article{Kertesz:1982:ESP,
author = "Mikl{\'o}s Kert{\'e}sz",
title = "Electronic Structure of Polymers",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "161--214",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60123-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601239",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 161 \\
II. Quantum Chemical Methods for the Treatment of the
Electronic Structure of Periodic Polymers 163 \\
III. Application of Theory to Conjugated Polymers 191
\\
IV. Concluding Remarks 207 \\
References 208",
}
@Article{Carbo:1982:EUM,
author = "Ramon Carb{\'o} and Lloren{\c{c}} Domingo and
Josep-Jordi Peris",
title = "Elementary Unitary {MO} Transformations and {SCF}
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "215--265",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60124-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601240",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 215 \\
II. Elementary Jacobi-Like Unitary Transformations 220
\\
III. Variation of Other Interesting Quantities 228 \\
IV. Computational Procedures 235 \\
V. Results: Comparison with Classical SCF 243 \\
VI. Analysis of the Energy Surface: Catastrophe Theory
248 \\
VII. Conclusions 261 \\
References 262",
}
@Article{Anonymous:1982:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "267--272",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60125-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601252",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1982:CPVa,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "273--277",
year = "1982",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:43:25 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1982:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "vii--vii",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60119-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601197",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1982:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "iv--iv",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60118-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601185",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1982:Ea,
author = "Anonymous",
title = "Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "??--??",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60116-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601161",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1982:Pa,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "15",
pages = "ix--x",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60120-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601203",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fischer-Hjalmars:1982:MBA,
author = "Inga Fischer-Hjalmars and Anita Henriksson-Enflo",
title = "Metals in Biology: An Attempt at Classification",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "1--41",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60350-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603500",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction I \\
II. Choice of Model System 4 \\
III. Method and Details of Calculation 9 \\
IV. Results 11 \\
V. Summary and Conclusions 36 \\
References 40",
}
@Article{Dedieu:1982:ICM,
author = "A. Dedieu and M.-M. Rohmer and A. Veillard",
title = "Ab Initio Calculations of Metalloporphyrins",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "43--95",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60351-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603512",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 43 \\
II. General Features of the Calculations 45 \\
III. Ground-State Assignments and Electronic
Configurations 55 \\
IV. Geometrical Structure 80 \\
References 91",
}
@Article{Craig:1982:RMI,
author = "D. P. Craig and T. Thirunamachandran",
title = "Radiation Molecule Interactions in Chemical Physics",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "97--160",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60352-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603524",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 98 \\
II. The Quantized Radiation Field and Coupling with
Molecules 100 \\
III. Interactions between Free Molecules and Radiation
113 \\
IV. Interactions between Molecules 133 \\
V. Conclusion 157 \\
References 158",
}
@Article{Ovchinnikov:1982:PNR,
author = "A. A. Ovchinnikov and M. Ya. Ovchinnikova",
title = "Problems of Nonlinear Radiationless Processes in
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "161--227",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60353-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603536",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 161 \\
II. Physical Principles and Methods of the
Radiationless Processes Theory 165 \\
III. Mechanisms of Electronic and Vibrational Energy
Relaxation 185 \\
IV. Charge Transfer Reactions in Polar Liquids 203 \\
Appendix 1. Tunnel Trajectory in QTST 219 \\
Appendix 2. Semiclassical Estimation of the Rotational
Transition Matrix Elements 220 \\
References 221",
}
@Article{Gallup:1982:PVB,
author = "G. A. Gallup and R. L. Vance and J. R. Collins and J.
M. Norbeck",
title = "Practical Valence-Bond Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "229--272",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60354-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603548",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Science Citation Index erroneously has R. L. Vance
last.",
tableofcontents = "I. Introduction 229 \\
II. The Evaluation of Matrix Elements 232 \\
III. Arrangement of Bases 249 \\
IV. Eigenvalues and Eigenvectors 256 \\
V. Applications 259 \\
Appendix. Transformation Matrices between Tableau
Functions and HLSP Functions for a Few Cases 266 \\
References 270",
}
@Article{Anonymous:1982:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "273--280",
year = "1982",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:58:39 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1982:CPVb,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "281--285",
year = "1982",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:58:39 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1982:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "vii--viii",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60348-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603482",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1982:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "iv--iv",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60347-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603470",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1982:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "??--??",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60345-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603457",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1982:Pb,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "16",
pages = "ix--x",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60349-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603494",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Leroy:1985:TAS,
author = "Georges Leroy",
title = "The Theoretical Approach to Some Chemical Problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "1--95",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60301-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603019",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. General Introduction 1 \\
II. The Electronic Structure of Chemical Species 8 \\
III. The Thermodynamical Properties of Chemical Species
35 \\
IV. The Reactivity of Chemical Species 80 \\
V. General Conclusions 89 \\
References 91",
}
@Article{Kryachko:1985:MAD,
author = "Eugene S. Kryachko and Toshikatsu Koga",
title = "Modern Aspects of Diatomic Interaction Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "97--223",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60302-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603020",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 98 \\
II. Diatomic Potential Series Expansions 104 \\
III. Short-Range Behavior of Diatomic Interactions 114
\\
IV. Schr{\"o}dinger Equation Picture 118 \\
V. Pad{\'e} Approximation of Diatomic Interactions 132
\\
VI. Virial Theorem and Its Implications 141 \\
VII. Force Concept Analysis for Diatomic Interactions
150 \\
VIII. Diatomic Molecular Force Constants 168 \\
IX. Momentum-Space Approach to Diatomic Interactions
174 \\
X. Density Functional Representation of Diatomic
Interactions 197 \\
Xl. Mathematical Grounds for Fitting Experimental Data:
Rydberg--Klein--Rees Approach 203 \\
XII. Concluding Remarks 206 \\
References 210",
}
@Article{Calais:1985:GEI,
author = "Jean-Louis Calais",
title = "Gap Equations and Instabilities for Extended Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "225--250",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60303-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603032",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 225 \\
II. The Fukutome Classes 226 \\
III. The Concept of Pairing 235 \\
IV. Instabilities 236 \\
V. Gap Equations 242 \\
VI. Contents VI. Applications 245 \\
VII. Beyond the Single-Determinant Approximation 247
\\
References 248",
}
@Article{Tanaka:1985:ESC,
author = "Kazuyoshi Tanaka and Tokio Yamabe",
title = "Electronic Structure of Conductive Conjugated Systems
and Their Physicochemical Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "251--284",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60304-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603044",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 251 \\
II. Polyacetylene 252 \\
III. Other Conjugated Systems 274 \\
IV. Concluding Remarks 279 \\
References 280",
}
@Article{Lowdin:1985:SAH,
author = "Per-Olov L{\"o}wdin",
title = "Some Aspects on the {Hamiltonian} and {Liouvillian}
Formalism, the Special Propagator Methods, and the
Equation of Motion Approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "285--334",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60305-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603056",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 285 \\
II. The Eigenvalue Problem for the Liouvillian in the
Hubert--Schmidt Theory 300 \\
III. Connection between the Binary Products in the
Operator Space 319 \\
Appendix A. Some Rules for Ket--Bra Operators 329 \\
Appendix B. The Order of Linear Independence of Certain
Operator Bases 330 \\
References 332",
}
@Article{Anonymous:1985:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "335--338",
year = "1985",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 16:30:30 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1985:CPV,
author = "Anonymous",
title = "Contents of Previous Volumes",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "339--344",
year = "1985",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 15:59:23 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1985:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "vii--vii",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60299-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602993",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1985:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "iv--iv",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60298-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602981",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1985:CV,
author = "Anonymous",
title = "Contributors to this Volume",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "??--??",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60296-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602968",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1985:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "17",
pages = "ix--x",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60300-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603007",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Bersuker:1986:JTE,
author = "I. B. Bersuker and I. Ya. Ogurtsov",
title = "The {Jahn--Teller} Effect in Dipole (Multipole)
Moments and Polarizabilities of Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "1--84",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60047-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600477",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 1 \\
II. Dipole Moments of Symmetric Molecular Systems 5 \\
III. Anisotropy of the Polarizability and
Hyperpolarizabilities in Degenerate States 28 \\
IV. Quadrupole Moments of Symmetric Systems and Their
Manifestations in Intermolecular Interactions V.
Conclusions 81 \\
References 82",
}
@Article{Kwiatkowski:1986:QMP,
author = "Jozef S. Kwiatkowski and Theresa Julia Zielinski and
Robert Rein",
title = "Quantum-Mechanical Prediction of Tautomeric
Equilibria",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "85--130",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60048-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600489",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Science Citation Index erroneously has Theresa Julia
Zielinski last.",
tableofcontents = "I. Introduction 85 \\
II. Tautomeric Equilibrium: General Remarks 86 \\
III. Tautomeric Equilibrium in an Electronic Ground
State of a Molecule Existing in Vapor Phase 89 \\
IV. Tautomeric Equilibrium in an Electronic Ground
State of a Molecule Existing in Solution 104 \\
V. Tautomeric Equilibrium in an Excited Electronic
State of a Molecule Existing in the Vapor Phase and in
Solution 114 \\
VI. Role of Tautomers in Mutation Theory 121 \\
References 127",
}
@Article{Briels:1986:DMC,
author = "W. J. Briels and A. P. J. Jansen and A. {Van Der
Avoird}",
title = "Dynamics of Molecular Crystals",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "131--206",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60049-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600490",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 131 \\
II. Intermolecular Interactions and the Crystal
Hamiltonian 135 \\
III. Harmonic and Quasi-harmonic Theories of Lattice
Dynamics 149 \\
IV. Dynamical Models for Large-Amplitude Motions 162
\\
V. Molecular Motions in Solid Nitrogen 175 \\
VI. Dynamics and Magnetism of Solid Oxygen 191 \\
Appendix 200 \\
References 203",
}
@Article{Hoffmann:1986:FCC,
author = "Mark R. Hoffmann and Henry F. {Schaefer III}",
title = "A Full Coupled-Cluster Singles, Doubles, and Triples
Model for the Description of Electron Correlation",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "207--279",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60050-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600507",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 207 \\
II. Renormalization 211 \\
III. Coupled-Cluster Equations 219 \\
IV. Diagrams and Rules 223 \\
V. Matrix Elements 234 \\
VI. Final Equations 264 \\
VII. Discussion and Conclusions 276 \\
References 278",
}
@Article{Kucharski:1986:FOM,
author = "Stanislaw A. Kucharski and Rodney J. Bartlett",
title = "Fifth-Order Many-Body Perturbation Theory and Its
Relationship to Various Coupled-Cluster Approaches",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "281--344",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60051-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600519",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "I. Introduction 281 \\
II. Review of the Rayleigh--Schr{\"o}dinger Theory 283
\\
III. Synopsis of Coupled-Cluster Theory 289 \\
IV. Diagrammatics 292 \\
V. Generation of the MBPT Diagrams by CC Iterations 306
\\
VI. Remarks and Comments 320 \\
VII. Computational Strategy in a Fifth-Order MBPT
Calculation 328 \\
VIII. Summary 333 \\
Appendix A. Choice of Skeleton Diagrams and MBPT
Diagram Rules 334 \\
Appendix B. Systematic Generation of MBPT Energy
Diagrams 337 \\
Appendix C. Diagram Factorization and Basis Set Size
Dependence in MBPT--CC Computations 340 \\
References 343",
}
@Article{Anonymous:1986:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "345--350",
year = "1986",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 16:31:38 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1986:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "iv--iv",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60045-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600453",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1986:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "18",
pages = "vii--viii",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60046-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600465",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Adams:1988:LAM,
author = "B. G. Adams and J. {\v{C}}{\'\i}{\v{z}}ek and J.
Paldus",
title = "{Lie} Algebraic Methods and Their Applications to
Simple Quantum Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "1--85",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60613-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606139",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 1 \\
II. General Discussion of Lie Algebras 5 \\
III. Representation Theory of so(2,1) 9 \\
IV. Representation Theory of so(4) 18 \\
V. Realizations of so(2,l) 29 \\
VI. Application of so(2,I) to Physical Systems 37 \\
VII. Realizations of so(4) 43 \\
VIII. Realizations of so(4,2) 50 \\
IX. Algebraic Perturbation Formalism for Hydrogenic
Systems 57 \\
X. Application of Perturbation Theory to Hydrogenic
Systems 63 \\
Addendum. The Application of so(2,1) to the Study of
Charmonium and Harmonium in $N$-Dimension with the Use
of Symbolic Computation 70 \\
Appendix A. Operator and Commutator Identities 72 \\
Appendix B. Scaling Transformations 76 \\
Appendix C. Matrix Elements and Perturbation
Coefficients 77 \\
References 82",
}
@Article{Lowdin:1988:CSA,
author = "Per-Olov L{\"o}wdin",
title = "On the Change of Spectra Associated with Unbounded
Similarity Transformations of a Many-Particle
{Hamiltonian} and the Occurrence of Resonance States in
the Method of Complex Scaling. {Part I}. {General}
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "87--138",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60614-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606140",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 88 \\
II. Bounded Similarity Transformations 88 \\
III. Unbounded Similarity Transformations and the
Associated Change of Boundary Conditions 98 \\
IV. Method of Complex Scaling 118 \\
Appendix A. Construction of Dual Complex Conjugate
Biorthonormal Sets 131 \\
Appendix B. Examples of Transformed Operators Having a
Continuous Spectrum: The Momentum $p$ and the Kinetic
Energy $T = p^2/2m$ 133 \\
Appendix C. Example of Complex Eigenvalues Occurring as
a Result of the Approximations Introduced 136 \\
References 138",
}
@Article{Ermler:1988:SOC,
author = "Walter C. Ermler and Richard B. Ross and Phillip A.
Christiansen",
title = "Spin-Orbit Coupling and Other Relativistic Effects in
Atoms and Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "139--182",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60615-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606152",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 139 \\
II. Reliable Effective Core Potentials 143 \\
III. Relativistic Effective Core Potentials--Formal
Aspects 147 \\
IV. Spin-Orbit Coupling and Relativistic Effective
Potentials--Applications 161 \\
V. Conclusions 178 \\
References 179",
}
@Article{Helgaker:1988:ACG,
author = "Trygve Helgaker and Poul J{\o}rgensen",
title = "Analytical Calculation of Geometrical Derivatives in
Molecular Electronic Structure Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "183--245",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60616-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606164",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 183 \\
II. Hamiltonian Expansion 186 \\
III. Derivatives from Multiconfiguration
Self-Consistent-Field Wave Functions 193 \\
IV. Derivatives from Multireference Configuration
Interaction Wave Functions 203 \\
V. Derivatives from Coupled-Cluster Wave Functions 210
\\
VI. Derivatives from M{\o}ller--Plesset Perturbation
Theory 215 \\
VII. Derivatives of Molecular Properties 225 \\
VIII. Translational and Rotational Symmetries 230 \\
IX. Concluding Remarks 233 \\
Appendix A. Notation for Derivatives 233 \\
Appendix B. Notation for One-Index Transformations 234
\\
Appendix C. Covariant and Contravariant Representations
234 \\
Appendix D. Hamiltonian (Transition) Expectation Values
236 \\
Appendix E. The Fock Matrix 237 \\
Appendix F. Expectation Values of One-Index Transformed
Hamiltonian 240 \\
Appendix G. Wave Function Relaxation Contributions 241
\\
References 243",
}
@Article{Friedrich:1988:TSR,
author = "B{\v{r}}etislav Friedrich and Zden{\v{e}}k Havlas and
Zden{\v{e}}k Herman and Rudolf Zahradn{\'\i}k",
title = "Theoretical Studies of Reaction Mechanisms in
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "247--288",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60617-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606176",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 247 \\
II. Basic Concepts 248 \\
III. Dynamic Approach 256 \\
IV. Static Approach 267 \\
V. Statistical Methods of Chemical Reactivity 279 \\
VI. Prospects 280 \\
References 281",
}
@Article{Kaplan:1988:DIR,
author = "I. G. Kaplan and V. N. Smutny",
title = "$\beta$-Decay-Induced Rearrangement of the Molecular
Electron Shell and the Problem of Determining the
Neutrino Rest Mass",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "289--348",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60618-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606188",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "I. Introduction 289 \\
II. Expression for the Electron Shell Restructuring
Probability 294 \\
III. Effect of $\beta$ Decay on the Molecular Electron
Shell 310 \\
IV. Influence of Molecular Structure on the Shape of
the Tritium $\beta$ Spectrum and the Problem of
Determining the Neutrino Rest Mass 329 \\
Appendix. Modification of the Molecular Hamiltonian and
Factorization of the Matrix Element 342 \\
Addendum 345 \\
References 346",
}
@Article{Anonymous:1988:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "349--365",
year = "1988",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Sat Dec 30 10:20:49 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1988:ANF,
author = "Anonymous",
title = "Announcement of New Format",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "xiii--xiii",
year = "1988",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 16:38:24 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1988:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "ix--x",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60610-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606103",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1988:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "iv--iv",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60609-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606097",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1988:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "??--??",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60607-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606073",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1988:ANF,
author = "Per-Olov L{\"o}wdin",
title = "Announcement of New Format",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "xiii--xiii",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60612-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606127",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1988:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "19",
pages = "xi--xii",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60611-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606115",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{VanHove:1989:SSS,
author = "M. A. {Van Hove} and S.-W. Wang and D. F. Ogletree and
G. A. Somorjai",
title = "The State of Surface Structural Chemistry: Theory,
Experiment and Results",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "1--184",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60626-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606267",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Science Citation Index erroneously has D. F. Ogletree
last.",
tableofcontents = "1. Introduction 2 \\
2. Experimental Techniques for Surface Structure
Determination 4 \\
3. The Theory of Modern Techniques for Surface
Structure Analysis 38 \\
4. The Theory of Surface Chemistry and Bonding 81 \\
5. Results of Surface Crystallography 112 \\
6. Future Needs and Directions of Surface Studies 173
\\
References 174",
}
@Article{Lowdin:1989:CSA,
author = "Per-Olov L{\"o}wdin and Piotr Froelich and Manoj
M{\'\i}shra",
title = "On the Change of Spectra Associated with Unbounded
Similarity Transformations of a Many-Particle
{Hamiltonian} and the Occurrence of Resonance States in
the Method of Complex Scaling. {Part II}.
{Applications} to the {Hartree--Fock} Scheme Based on
the Bi-Variational Principle",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "185--237",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60627-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606279",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 188 \\
2. Brief Review of Some of the Results in the Previous
Studies of the Stability Problem for a Pair of Adjoint
Operators 190 \\
3. Similarity Transformation of a Many-Particle
Operator and Its Consequences in the Hartree--Fock
Scheme 199 \\
4. Properties of a Many-Particle Hamiltonian under
Complex Scaling 217 \\
5. Numerical Application of the Complex Scaling Method
in the Hartree--Fock Approximation 222 \\
6. Conclusions and Acknowledgments 231 \\
Appendix A. Treatment of One-Particle Subspaces of
Order N, Which Are Stable under Complex Conjugation 233
\\
References 237",
}
@Article{Head:1989:NBO,
author = "John D. Head and Michael C. Zerner",
title = "{Newton} Based Optimization Methods for Obtaining
Molecular Conformation",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "239--290",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60628-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606280",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 241 \\
2. Characterization of Minima 243 \\
3. Optimization Algorithms 245 \\
4. Line Search Strategy 245 \\
5. Search Directions 251 \\
6. Analysis of Search Direction Methods 263 \\
7. Computational Procedures 266 \\
8. Results 267 \\
9. Conclusions 285 \\
Appendix 287 \\
References 288",
}
@Article{Mukherjee:1989:UCE,
author = "Debashis Mukherjee and Sourav Pal",
title = "Use of Cluster Expansion Methods in the Open-Shell
Correlation Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "291--373",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60629-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606292",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 292 \\
2. ``Theoretical Model Chemistry'' and Its Relevance to
the Open-Shell Formalisms 293 \\
3. Cluster Expansion and Size-Extensivity 298 \\
4. Categorization of the Open-Shell Many Body
Formalisms 302 \\
5. Semi-Cluster Expansion Theories for the Open-Shell
States 310 \\
6. Full Cluster Expansion Theories in Hilbert Space 324
\\
7. Full Cluster Expansion Theories in Fock Space 332
\\
8. Size-Extensive Formulations with Incomplete Model
Space (IMS) 353 \\
9. Concluding Remarks 364 \\
References 365",
}
@Article{Carbo:1989:JRG,
author = "Ramon Carb{\'o} and Joan Mir{\'o} and Lloren{\c{c}}
Domingo and Juan J. Novoa",
title = "{Jacobi} Rotations: {A} General Procedure for
Electronic Energy Optimization",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "375--441",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60630-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606309",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Science Citation Index erroneously has Lloren{\c{c}}
Domingo last.",
tableofcontents = "1. Introduction 377 \\
2. Elementary Jacobi Rotations 378 \\
3. Variation of Quantum Mechanical Objects in the MO
Framework via Elementary Jacobi Rotations 380 \\
4. Some Application Examples 383 \\
5. Monoconfigurational Energy Expressions 389 \\
6. Multiconfigurational Energy Expression 395 \\
7. Optimization of Rotation Sine 421 \\
References 433 \\
Appendix I 437 \\
Appendix II 440",
}
@Article{Anonymous:1989:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "443--453",
year = "1989",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 16:38:24 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1989:ANF,
author = "Anonymous",
title = "Announcement of New Format",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "xiii--xiii",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60625-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606255",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1989:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "ix--x",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60623-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606231",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1989:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "iv--iv",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60622-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860622X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1989:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "??--??",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60620-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606206",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1989:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "20",
pages = "xi--xii",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60624-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606243",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Trickey:1990:I,
author = "Samuel B. Trickey",
title = "Introduction",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "1--5",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60588-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605882",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Hohenberg:1990:BST,
author = "P. C. Hohenberg and Walter Kohn and L. J. Sham",
title = "The Beginnings and Some Thoughts on the Future",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "7--26",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60589-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605894",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 8 \\
2. How it Began 8 \\
3. Improving Thomas--Fermi 17 \\
4. And Why Not the Hartee Equations? 19 \\
5. Practical Approximations 23 \\
6. Looking Ahead 24 \\
Acknowledgements 25 References 25",
}
@Article{Harriman:1990:DDM,
author = "John E. Harriman",
title = "Density and Density Matrices in Density Functional
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "27--46",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60590-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605900",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 28 \\
2. Basis Sets and Models 29 \\
3 Matrix and Density Spaces 36 \\
4. Energy Contributions 41 \\
5. Conclusions 44 Acknowledgement 45 References 45",
}
@Article{Ludena:1990:DMF,
author = "Eduardo V. Lude{\~n}a and Jaime Keller",
title = "Density Matrix Foundations of Density Functional
Theory: The Importance of Pure-State
{$N$}-Representability in the Derivation of Extended
{Kohn--Sham} Equations",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "47--67",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60591-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605912",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 47 \\
2 the Hohenberg--Kohn Theorems and the Two-Step
Variational Procedure 50 \\
3. Built-In, Pure-State $N$-Representability Conditions
for $D^1(1,1')$ 55 \\
4. Connection with the Kohn--Sham Equations 59 \\
5. Multiconfiguration. Stationary States. Calculations
and Third Theorem in Density Functional Theory 61 \\
6. Example: Real and Configuration Space Wave Functions
of $f$ Electrons in Condensed Matter 63 \\
Acknowledgements 65 \\
References 66",
}
@Article{Levy:1990:CSF,
author = "Mel Levy",
title = "Constrained-Search Formulation And Recent Coordinate
Scaling In Density-Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "69--95",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60592-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605924",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 71 \\
2. Simplified and Generalized Proofs of Hohenberg--Kohn
Theorems A and B for Ground States 72 \\
3. Partitioning of $F[n]$ 75 \\
4. Bound for Density-Functional Exchange 76 \\
5. Coordinate Scaling Theorem 78 \\
6. Formulas for Ground-State Energies from Experimental
Densities 84 \\
7. $E_x$ from $v_x$ 86 \\
8. Orbital-Generated Kohn--Sham Exchange-Correlation
Potential 87 \\
9. Future Considerations: Coordinate Scaling Equality
Requirements for the Correlation Hole 91 \\
References 94",
}
@Article{Schluter:1990:DFT,
author = "M. Schl{\"u}ter and L. J. Sham",
title = "Density-Functional Theory of the Band Gap",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "97--112",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60593-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605936",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 97 \\
2. The Connections Between Quasiparticle Energies and
DF Theory 98 \\
3. Calculational Details 101 \\
4. Results 104 \\
5. Conclusions 110 \\
References 112",
}
@Article{Perdew:1990:SCS,
author = "John P. Perdew",
title = "Size-Consistency, Self-Interaction Correction, and
Derivative Discontinuity in Density Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "113--134",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60594-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605948",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 114 \\
2. Hohenberg--Kohn--Sham Theory 1 17 \\
3. Self-Interaction Correction 122 \\
4. Derivative Discontinuity 127 \\
5. Summary of Implications 130 \\
Acknowledgements 131 \\
References 131",
}
@Article{Oliveira:1990:DFT,
author = "L. N. Oliveira",
title = "Density Functional Treatment of Excited States",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "135--154",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60595-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860595X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 136 \\
2. Rayleigh--Ritz Principle for Excited States 137 \\
3. Density Functional Formalism 138 \\
4. The Quasi-Local-Density Approximation 144 \\
5. Numerical Results for the He Atom 148 \\
6. Conclusions 152 \\
Acknowledgements 153 \\
References 153",
}
@Article{Hybertsen:1990:SEA,
author = "Mark S. Hybertsen and Steven G. Louie",
title = "Self-Energy Approach to Quasiparticle Energies Using a
Density Functional Treatment of Dielectric Screening",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "155--174",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60596-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605961",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 155 \\
2. The Self-Energy Approach 157 \\
3. Applications 162 \\
4. Concluding Remarks 172 \\
Acknowledgements 173 \\
References 173",
}
@Article{Langreth:1990:RFN,
author = "David C. Langreth and S. H. Vosko",
title = "Response Functions and Nonlocal Approximations",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "175--199",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60597-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605973",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 176 \\
2. Density Functional Theory and Linear Response 179
\\
3. The Local Density Approximation and Beyond 183 \\
4. The $q$ Dependence of $K_{xc}(q)$ 185 \\
5. Long-Range Anomalies for Exchange and Correlation
Separately 191 \\
6. Conclusions and Implications for the Development of
Nonlocal Functionals 195 \\
Acknowledgements 196 \\
References 196",
}
@Article{Kleinman:1990:DGE,
author = "Leonard Kleinman and Viraht Sahni",
title = "Density-Gradient Expansions",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "201--234",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60598-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605985",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "This article did not have its own table of contents.",
}
@Article{Vignale:1990:MFD,
author = "G. Vignale and Mark Rasolt and D. J. W. Geldart",
title = "Magnetic Fields and Density Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "235--253",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60599-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605997",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 235 \\
2. Basic Variables and Theorems 237 \\
3. Self-Consistent Equations 239 \\
4. Gauge-Invariance 241 \\
5. Local Density Approximation 244 \\
6. Current- and Spin-Density Functional Theory 246 \\
7. Summary and Open Questions 249 \\
References 252",
}
@Article{Gross:1990:TDD,
author = "E. K. U. Gross and W. Kohn",
title = "Time-Dependent Density Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "255--291",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60600-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606000",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 256 \\
2. Formal Framework 258 \\
3. Frequency-Dependent Linear Response 271 \\
Acknowledgements 287 \\
References 288",
}
@Article{Yang:1990:IFD,
author = "Weitao Yang",
title = "Integral Formulation of Density Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "293--302",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60601-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606012",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Electron Density as the Basic Variable 293 \\
2. The Integral Formulation 295 \\
3. Significance and Present Limitations 299 \\
Acknowledgements 300 \\
References 300",
}
@Article{Cioslowski:1990:DFR,
author = "Jerzy Cioslowski",
title = "Density Functional Reformulation of Molecular Orbital
Theories",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "303--316",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60602-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606024",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 303 \\
2. Molecular Orbital Theories 304 \\
3. Construction of One-Particle Wavefunctions 306 \\
4. Density Driven Self-Consistent Field Theory:
Formalism 309 \\
5. Density Driven Self-Consistent Field Theory:
Discussion 312 \\
6. Conclusions 315 \\
Acknowledgements 316 \\
References 316",
}
@Article{Dunlap:1990:GTO,
author = "B. I. Dunlap and N. R{\"o}sch",
title = "The {Gaussian}-Type Orbitals Density Functional
Approach to Finite Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "317--339",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60603-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606036",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 317 \\
2. Fitting the Coulomb Potential 320 \\
3. The Grid Problem 324 \\
4. Stationary Method with Analytic Gradients 326 \\
5. SCE Convergence and FON 329 \\
6. Application: Chemisorption on Nickel Surfaces 331
\\
7. Conclusions 335 \\
Acknowledgement 336 \\
References 336",
}
@Article{Gordon:1990:LDF,
author = "Roy G. Gordon and Richard LeSar",
title = "Local Density Functional Theories of Ionic and
Molecular Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "341--363",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60604-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608606048",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 342 \\
2. The Electron Gas Model 343 \\
3. Comparison of Methods 355 \\
4. Conclusions 361 \\
Acknowledgements 361 \\
References 362",
}
@Article{Albers:1990:LAP,
author = "R. C. Albers and A. M. Boring and J. C. Boettger",
title = "{LDA} Applications to the Properties of Periodic
Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "365--398",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60605-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860605X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 365 \\
2. Cohesive Energies, Lattice Constants and Bulk Moduli
368 \\
3. Crystallographic Phase Stability 372 \\
4. X-Ray Photoemission Spectra (Angle-Integrated) 374
\\
5. Optical Measurements 377 \\
6. Fermi Surfaces (Topologies and Mass Enhancements)
379 \\
7. LDA Calculations of Many-Body Parameters 383 \\
8. Heavy Electron Systems 386 \\
9. Films and Surfaces 390 \\
References 395",
}
@Article{Anonymous:1990:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "399--405",
year = "1990",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 16:56:30 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1990:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "xi--xii",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60587-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605870",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1990:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "iv--iv",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60586-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605869",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1990:EB,
author = "Anonymous",
title = "Edited Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "21",
pages = "??--??",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60584-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605845",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hall:1991:LJP,
author = "George G. Hall",
title = "The {Lennard-Jones} Paper of 1929 and the Foundations
of Molecular Orbital Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "1--6",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60361-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603615",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
tableofcontents = "1. Introduction 1 \\
2. Background 2 \\
3. The Lennard-Jones Paper 3 \\
4. The Follow-Up to the Paper 4 \\
5. Conclusion 5 \\
References 5",
}
@Article{Grinberg:1991:FPI,
author = "Horacio Grinberg and Julio Mara{\~n}on",
title = "The {Feynman} Path Integral Formalism: Atomic and
Molecular Electronic Structure",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "7--123",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60362-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603627",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 9 \\
2. Mathematical Outline 16 \\
3. Path Integral Theory of the Hydrogen Atom 44 \\
4. General Treatment of Many Electron Systems through
the Feynman Path Integral Representation 62 \\
5. Path Integral Formulation of Roothaan's Equations 84
\\
6. Feynman Path Integral Representation of Field
Operators and Memory Superoperators in a Liouville
Space 92 \\
7. Conclusions 111 References 114",
}
@Article{Ellis:1991:TMC,
author = "D. E. Ellis and J. Guo and H.-P. Cheng and J. J. Low",
title = "Transition Metal Clusters: Electronic Structure and
Interaction With Hydrogen and Oxides",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "125--165",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60363-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603639",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Science Citation Index erroneously lacks J. J. Low.",
tableofcontents = "1. Introduction 125 \\
2. Ni$_4$ and H$_2$Ni$_4$ 128 \\
3. Platinum Clusters 138 \\
4. Pt-Support and Pt-H Interactions 146 \\
5. Conclusion 160 \\
Acknowledgments 161 \\
References 161",
}
@Article{Geertsen:1991:SAC,
author = "Jan Geertsen and Steffen Eriksen and Jens Oddershede",
title = "Some Aspects of The Coupled Cluster Based Polarization
Propagator Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "167--209",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60364-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603640",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 168 \\
2. Spin-Adapted Coupled Cluster Equations 170 \\
3. Perturbative Polarization Propagator Methods 175 \\
4. The Coupled Cluster Polarization Propagator
Approximation (CCPPA) 180 \\
5. Analysis of the Coupled Cluster Polarization
Propagator Method 185 \\
6. Numerical Illustrations 191 \\
7. Conclusions 196 \\
Appendix A. Spin-Adapted Coupled Cluster Singles and
Doubles Equations 198 \\
Appendix B. Spin-Adapted Matrix Element of A(3) 202 \\
Acknowledgments 207 \\
References 207",
}
@Article{Gadre:1991:BAM,
author = "Shridhar R. Gadre and Rajeev K. Pathak",
title = "Bounds to Atomic and Molecular Energy Functionals",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "211--300",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60365-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603652",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 212 \\
2. Survey of the Density Functional Theory 216 \\
3. Bounds to Kinetic Energy Functionals 231 \\
4. Bounds to Electron Repulsion Energies 250 \\
5. Bounds to Total Electronic Energies for Coulomb
Systems 265 \\
6. Concluding Remarks 289 \\
Acknowledgments 292 \\
References 292",
}
@Article{Almlof:1991:ANO,
author = "Jan Alml{\"o}f and Peter R. Taylor",
title = "Atomic Natural Orbital ({ANO}) Basis Sets for Quantum
Chemical Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "301--373",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60366-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603664",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 301 \\
2. Natural Orbitals 311 \\
3. Expansion Basis 318 \\
4. Contraction Errors 332 \\
5. Applications of ANO Basis Sets 340 \\
6. Alternative Approaches 357 \\
7. Conclusions 361 \\
Appendix: Computational Considerations 362 \\
Acknowledgments 367 \\
References 367",
}
@Article{Anonymous:1991:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "375--385",
year = "1991",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:12:07 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1991:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "vii--vii",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60359-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603597",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1991:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "iv--iv",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60358-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603585",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1991:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "??--??",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60356-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603561",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1991:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "22",
pages = "ix--x",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60360-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603603",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Aagren:1992:TMA,
author = "Hans {\AA}gren and Amary Cesar and Christoph-Maria
Liegener",
title = "Theory of Molecular {Auger} Spectra",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "1--82",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60028-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600283",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
tableofcontents = "Abstract 4 \\
Introduction 5 \\
Molecular Auger as a Scattering Process 8 \\
Vibronic Interaction in Auger Spectra 21 \\
Auger Transition Rates 29 \\
Analysis of Molecular Auger Spectra 38 \\
One-Particle Methods 45 \\
Wave Function Methods 47 \\
Green's Function Methods 51 \\
Other Methods 59 \\
Applications 60 \\
Sample Analysis: Carbon Monoxide 66 \\
Conclusions and Outlook 74 \\
References 76",
}
@Article{Lowdin:1992:LAL,
author = "Per-Olov L{\"o}wdin",
title = "On Linear Algebra, the Least Square Method, and the
Search for Linear Relations by Regression Analysis in
Quantum Chemistry and Other Sciences",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "83--126",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60029-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600295",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction 84 \\
The Method of Least Squares 91 \\
Some Properties of Linear Operators and Their Matrix
Representations 97 \\
The Method of Generalized Least Squares 102 \\
The Search for Approximate Linear Dependencies in a
Finite Basis Set 108 \\
On the Search for Linear Relations by Means of Ordinary
Canonical Regression Analysis 111 \\
Appendice 119 \\
References 125",
}
@Article{Louck:1992:CNM,
author = "J. D. Louck and L. C. Biedenharn",
title = "Canonical and Noncanonical Methods in Applications of
Group Theory to Physical Problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "127--204",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60030-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600301",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction 129 \\
Review of General Principles 138 \\
Canonical U(3) WCG-Coefficients 161 \\
Further Canonical Methods 166 \\
Noncanonical Methods: The SU(3) SO(3) Example 187 \\
References 200",
}
@Article{Gauss:1992:AEG,
author = "J{\"u}rgen Gauss and Dieter Cremer",
title = "Analytical Energy Gradients in {M{\o}ller--Plesset}
Perturbation and Quadratic Configuration Interaction
Methods: Theory and Application",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "205--299",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60031-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600313",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction 206 \\
Comparison of Moller-Plesset and Quadratic CI Electron
Correlation Theories 212 \\
Energy Gradients 220 \\
Implementation of Analytical MPn and QCI Gradients 235
\\
Calculation of Molecular Properties at MPn and QCI
Using Analytical Gradients 244 \\
Concluding Remarks 285 \\
References 293",
}
@Article{Sannigrahi:1992:IMO,
author = "A. B. Sannigrahi",
title = "{{\em Ab Initio}} Molecular Orbital Calculations of
Bond Index and Valency",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "301--351",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60032-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600325",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction 302 \\
Definitions of Bond Index and Valency for Single
Determinant SCF Wavefunctions 307 \\
Definitions of Bond Index and Valency for Correlated
Wavefunctions 314 \\
Applications of the Concepts of Bond Index and Valency
316 \\
Summary and Conclusions 344 \\
References 346",
}
@Article{Anonymous:1992:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "353--363",
year = "1992",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:19:15 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1992:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "vii--vii",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60026-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860026X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1992:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "iv--iv",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60025-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600258",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1992:EBa,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "??--??",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60023-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600234",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1992:Pa,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "23",
pages = "ix--x",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60027-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600271",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Smeyers:1992:IGT,
author = "Yves G. Smeyers",
title = "Introduction to Group Theory for Non-Rigid Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "1--77",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60100-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601008",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
tableofcontents = "Introduction 5 \\
The Non-Rigid Group Theories 7 \\
Non-Rigid Molecule Groups for Systems with One, Two,
and Three Degrees of Freedom 18 \\
Non-Rigid Molecule Groups for C$_{3v}$ Rotor Molecules
27 \\
Comparison between the Longuet-Higgins', Altmann's, and
Non-Rigid Groups 34 \\
Further Comparisons 40 \\
Local Non-Rigid Groups: The Local Hamiltonian Operator
44 \\
Local Non-Rigid Group for C$_{3v}$ Rotor Molecules 51
\\
Restricted and Local Non-Rigid Groups 54 \\
Applications 58 \\
Concluding Remarks 72 \\
Acknowledgments 73 \\
References 74",
}
@Article{Lowdin:1992:SSG,
author = "Per-Olov L{\"o}wdin and Istv{\'a}n Mayer",
title = "Some Studies of the General {Hartree--Fock} Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "79--114",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60101-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860101X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "History of the General Hartree--Fock Method 79 \\
The General Hartree--Fock Equations and Separation of
Space and Spin and the MO-LCAO-approach 84 \\
Applications of the General Hartree--Fock Theory to
Some Atoms and the BH Molecule 94 \\
A Study of the Hessians in the Hartree--Fock Scheme 103
\\
Concluding Remarks 108 \\
References 111",
}
@Article{Carbo:1992:MCA,
author = "Ramon Carb{\'o} and Emili Besal{\'u}",
title = "Many Center {AO} Integral Evaluation Using Cartesian
Exponential Type Orbitals ({CETO}'{S})",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "115--237",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60102-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601021",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction: Brief Historical Background, General
Intentions, and Method 117 \\
Exponential Type Orbitals 123 \\
Practical Details on CETO Products 135 \\
Two Center Expression of a CETO Function Product 165
\\
Expansion of the Product of Two Exponential Functions
Centered at A and B 174 \\
Integrals over One-Electron Operators 190 \\
Integrals over Two-Electron Operators 207 \\
Conclusions and Prospects of Future 229 \\
Acknowledgments 231 \\
References 231",
}
@Article{El-Basil:1992:EMO,
author = "Sherif El-Basil and Milan Randi{\'c}",
title = "Equivalence of Mathematical Objects of Interest in
Chemistry and Physics",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "239--290",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60103-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601033",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Abstract 239 \\
Introduction 240 \\
Equivalent Alternative Models 252 \\
Applications 280 \\
Notes 287 \\
References 287",
}
@Article{Anonymous:1992:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "291--298",
year = "1992",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:22:06 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1992:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "vii--vii",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60098-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600982",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1992:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "iv--iv",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60097-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600970",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1992:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "??--??",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60095-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600957",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1992:Pb,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "24",
pages = "ix--x",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60099-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600994",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bishop:1994:ANL,
author = "David M. Bishop",
title = "Aspects of Non-Linear Optical Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "1--45",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60017-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600179",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 3 \\
2. Definitions and Units 5 \\
3. Electric Fields 10 \\
4. Magnetic Fields 35 \\
5. Future Directions 40 \\
References 41",
}
@Article{Schmidt:1994:MIM,
author = "P. P. Schmidt",
title = "The Mechanics of Ionic Motion in Molecular Channels",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "47--139",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60018-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600180",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 49 \\
2. The Channel Model 52 \\
3. Classical Mechanical Harmonic Oscillator Analyses 59
\\
4. Free and Nearly Free Ions 65 \\
5. Tight Binding Analysis 72 \\
6. Estimates for Two or More Ions per Channel 104 \\
7. A Model of lon-Gating into Biological Conduction
Channels 107 \\
8. Summary 120 \\
9. Appendices 121 \\
References 136",
}
@Article{Gill:1994:MIG,
author = "Peter M. W. Gill",
title = "Molecular Integrals over {Gaussian} Basis Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "141--205",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60019-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600192",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Quantum Chemical Procedures 143 \\
2. Basis Functions 144 \\
3. A Survey of Gaussian Integral Algorithms 148 \\
4. The PRISM Algorithm 172 \\
5. Prospects for the Future 197 \\
References 199",
}
@Article{Forner:1994:SDT,
author = "Wolfgang F{\"o}rner",
title = "Soliton Dynamics in trans-Polyacetylene",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "207--252",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60020-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600209",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 208 \\
2. Ab initio Calculations on trans-Butadiene 210 \\
3. The Pariser Parr Pople Model 217 \\
4. Parametrization 223 \\
5. Static Properties 225 \\
6. Dynamics 231 \\
7. Conclusion 246 \\
References 247",
}
@Article{Carbo:1994:MQS,
author = "Ramon Carb{\'o} and Blanca Calabuig and Leonel Vera
and Emili Besal{\'u}",
title = "Molecular Quantum Similarity: Theoretical Framework,
Ordering Principles, and Visualization Techniques",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "253--313",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60021-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600210",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1994:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "315--320",
year = "1994",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:29:26 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1994:AE,
author = "Anonymous",
title = "Advisory Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "??--??",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60012-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860012X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1994:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "vii--vii",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60015-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600155",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1994:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "iv--iv",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60014-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600143",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1994:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "25",
pages = "ix--x",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60016-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608600167",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lazzeretti:1995:RVS,
author = "P. Lazzeretti and M. Defranceschi and G. Berthier",
title = "Rototranslational and Virial Sum Rules for Geometrical
Derivatives of Second-Order Properties and Nuclear
Electric Hypershieldings",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "1--34",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60110-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601100",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
tableofcontents = "I. Introduction 2 \\
II. Force and Torque in a Molecule in the Presence of
External Fields 4 \\
III. Rototranslational Sum Rules for Geometrical
Derivatives of Electric Properties and the
Hellmann--Feynman Theorem 10 \\
IV. Electric Shielding and Hypershielding at the Nuclei
ii V. Generalization to Geometrical Derivatives of
Arbitrary Second-Order Properties 15 \\
VI. Force and Torque Theorems in the Presence of
Magnetic Field 25 \\
VII. Virial Sum Rules 28 \\
VIII. Conclusions 31 \\
References 32",
}
@Article{Deleuze:1995:SCS,
author = "Micha{\"e}l Deleuze and Joseph Delhalle and Barry T.
Pickup and Jean-Louis Calais",
title = "Size-Consistency and Size-Intensivity Aspects of
Many-Body {Green}'s-Function Calculations on Polymers:
Characterization of the Convergence of Direct Lattice
Self-Energy Summations",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "35--98",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60111-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601112",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 36 \\
2. Diagrammatic Derivation of the Many-Body Green's
Function (MBGF) and Many-Body Perturbation Theory
(MBPT) 41 \\
3. Basic CO-LCAO-SCF Equations for Stereoregular
Polymers 48 \\
4. Implications of the Linked Cluster Theorem for
Extended Systems 51 \\
5. Singular Bielectron Integrals on Crystalline
Orbitals 61 \\
6. Characterization of the Convergence of Self-Energy
Lattice Summations 68 \\
7. Conclusions 83 \\
Appendix 1: Properties of $\epsilon_n(k)$ and
$\phi_n(k,r)$ 87 \\
Appendix 2: Properties of Fourier Coefficients 88 \\
Appendix 3: Size-Consistency and Size-Extensivity of
the RPA Expansion of the Electric Polarizability 89 \\
References 92",
}
@Article{Shaik:1995:VBM,
author = "Sason Shaik and Philippe C. Hiberty",
title = "Valence Bond Mixing and Curve Crossing Diagrams in
Chemical Reactivity and Bonding",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "99--163",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60112-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601124",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 100 \\
2. The Valence Bond Language: An Effective VB Approach
101 \\
3. VB Diagrams for Chemical Reactions: Aufbau
Principles 116 \\
4. Closing Remarks 157 \\
5. References and Notes 158",
}
@Article{Luo:1995:RTC,
author = "Yi Luo and Hans {\AA}gren and Poul J{\o}rgensen and
Kurt V. Mikkelsen",
title = "Response Theory and Calculations of Molecular
Hyperpolarizabilities",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "165--237",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60113-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
note = "See editorial apology \cite{Editors:1996:A}.",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601136",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 168 \\
2. The Mechanism of Hyperpolarizabilities 171 \\
3. Response Functions in the MCSCF Approximation 177
\\
4. Solvent Induced Hyperpolarizabilities 189 \\
5. Hyperpolarizabilities of Small Molecules 196 \\
6. Hyperpolarizabilities of Charge Transfer Organic
Molecules 213 \\
7. Hyperpolarizabilities of Polyenes and Polyynes 226
\\
8. Summary 231 \\
References 233",
}
@Article{Raychev:1995:QGA,
author = "Peter Raychev",
title = "Quantum Groups: Application to Nuclear and Molecular
Spectroscopy",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "239--357",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60114-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601148",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 240 \\
2. Example of a Quantum Group and a Quantum Algebra 244
\\
3. $q$-Deformed Harmonic Oscillator and $q$-Deformed
Boson Operators 251 \\
4. The $q$-Deformed SU$_q$(2) Algebra and Its
Representations 272 \\
5. The Clebsch--Gordan Coefficients and Irreducible
Tensor Operators for SU$_q$(2) 295 \\
6. Application of Quantum Algebras to the Description
of the Nuclear and Molecular Spectra 314 \\
Appendix A 336 \\
References 349",
}
@Article{Anonymous:1995:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "359--367",
year = "1995",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:34:22 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "vii--vii",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60108-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601082",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1995:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "iv--iv",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60107-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601070",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1995:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "??--??",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60105-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601057",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lowdin:1995:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "26",
pages = "ix--x",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60109-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601094",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Matsen:1996:FDN,
author = "F. A. Matsen",
title = "Freeon Dynamics: {A} Novel Theory of Atoms and
Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "1--70",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60250-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602506",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
tableofcontents = "1. Introduction 4 \\
2. The Spin Paradigm 9 \\
3. The Polyenes 10 \\
4. The Heisenberg Exchange Hamiltonian 25 \\
5. Mean-Field Theories of the Second-Order,
Phase-Change 30 \\
6. The Freeon Theory of Ferromagnetism 32 \\
7. Superconductivity and Mean-Field Theory 35 \\
8. The Ising, Small-Bipolaron Theory of Cuprate
Superconductivity 39 \\
9. Critique of the Freeon Theory of Ferromagnetism 53
\\
10. Atomic Structure 54 \\
11. Nuclear Structure 60 \\
12. Summary and Conclusions 67 \\
13. Dedication and Acknowledgments 69 \\
References 70",
}
@Article{AAgren:1996:RTC,
author = "Hans {\AA}gren and Olav Vahtras and Boris Minaev",
title = "Response Theory and Calculations of Spin-Orbit
Coupling Phenomena in Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "71--162",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60251-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602518",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Abstract 71 \\
2. Introduction 74 \\
3. Theory 76 \\
4. Computation of Spin-Orbit Response Functions 86 \\
5. Miscellaneous Applications 91 \\
6. Selected Singlet-Triplet Transitions 104 \\
7. Phosphorescence of Aromatic Compounds 129 \\
8. The External Heavy Atom Effect on S-T Transitions
148 \\
9. Outlook 153 \\
References 155",
}
@Article{Mezey:1996:FGQ,
author = "Paul G. Mezey",
title = "Functional Groups in Quantum Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "163--222",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60252-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860252X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 165 \\
2. Molecular Fragments, Chemical Functional Groups 167
\\
3. The Density Domain Approach to Functional Groups and
Local Molecular Properties 178 \\
4. An Application of the MEDLA Method for the Direct
Computation of Electron Densities of Functional Groups
192 \\
5. Local Shape Analysis of Functional Groups 206 \\
6. Shape Similarity and Shape Complementarity Measures
of Functional Groups in Different Molecular
Environments 210 \\
7. Energy Relations for Functional Groups and Their
Interactions 214 \\
8. Summary 216 \\
9. Acknowledgments 217 \\
10. References 217",
}
@Article{Mishra:1996:CSA,
author = "Manoj K. Mishra and Milan N. Medikeri",
title = "Characterization of Shape and {Auger} Resonances Using
The Dilated One Electron Propagator Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "223--295",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60253-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602531",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 225 \\
2. The General Theoretical Framework 227 \\
3. Shape Resonances in Atom and Molecule Scattering 243
\\
4. The Auger Resonances 260 \\
5. The Orbital Picture of Resonances from Different
Decouplings of the Dilated Electron Propagator 266 \\
6. Conclusions and Future Directions 286 \\
Acknowledgments 288 \\
References 289",
}
@Article{Engels:1996:RDC,
author = "Bernd Engels and Leif A. Eriksson and Sten Lunell",
title = "Recent Developments in Configuration Interaction and
Density Functional Theory Calculations of Radical
Hyperfine Structure",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "297--369",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60254-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602543",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 298 \\
2. Configuration Interaction Methods 300 \\
3. Density Functional Methods 333 \\
4. Concluding Remarks 358 \\
Acknowledgments 359 \\
References 360",
}
@Article{Lowdin:1996:SPL,
author = "Per-Olov L{\"o}wdin",
title = "Some Properties of Linear Functionals and Adjoint
Operators",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "371--397",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60255-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602555",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "Introduction 372 \\
1. Some Properties of Linear Functionals 372 \\
2. Mappings of the Dual Space $A^d$ on the Original
Space $A$ 379 \\
3. Mapping of the Dual Space $A^d$ on Another Linear
Space 389 \\
4. Mapping of a Space $A = \{x\}$ on Another Space $B =
\{y\}$ 393 \\
References 397",
}
@Article{Anonymous:1996:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "399--407",
year = "1996",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:41:59 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "ix--ix",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60248-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602488",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1996:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "iv--iv",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60246-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602464",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1996:D,
author = "Anonymous",
title = "Dedication",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "viii--viii",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60247-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602476",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1996:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "??--??",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60244-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602440",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Editors:1996:A,
author = "{The Editors}",
title = "Apology",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "viii--viii",
year = "1996",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:41:59 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
note = "It has come to out attention that substantial portions
of the paper\par
{\small Yi Lao, Hans {\AA}gren, Poul J{\o}rgensen, and
Kurt V. Mikkelsen (1995).\\
Response theory and calculations of molecular
hyperpolarizabilities\\
{\em Adv. Quantum Chem.} {\bf 26}, 168--237.}\par
were taken nearly unaltered from\par
{\small Henne Hettema, Hans J{\o}rgen Aa. Jensen, Poul
J{\o}rgensen, and Jeppe Olsen (1992).\\
Quadratic response functions for a
multi-configurational self-consistent-field
wave-function.\\
{\em J. Chem. Phys.} {\bf 97}, 1174--1190.}\par
and republished without proper copyright permission.
The Editors regret this breach of courtesy and offer
their sincere apologies to the authors of the {\em
Journal of Chemical Physics\/} paper and to the {\em
American Institute of Physics\/} for any resulting
inconvenience or embarrassment.\par
[See \cite{Luo:1995:RTC}.]",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1996:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "27",
pages = "xi--xii",
year = "1996",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60249-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860249X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kobus:1997:DME,
author = "Jacek Kobus",
title = "Diatomic Molecules: Exact Solutions of {HF}
Equations",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "1--14",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60203-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602038",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 2 \\
2. FD HF Method Development 3 \\
3. The Calibration of Basis Sets 4 \\
4. Full CI with Numerical Orbitals 6 \\
5. One-Electron Diatomic States 7 \\
6. Future Developments 9 \\
7. Summary 10 \\
8. Acknowledgments 11 \\
References 11",
}
@Article{Li:1997:PTL,
author = "Xiangzhu Li and Josef Paldus",
title = "Perturbation Theory for Low-Spin Open-Shell States",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "15--32",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60204-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860204X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 16 \\
2. Basic Formalism 17 \\
3. M{\o}ller--Plesset UGA Based PT 19 \\
4. Epstein-Nesbet UGA Based PT 22 \\
5. Applications 24 \\
6. Conclusions 30 \\
7. Acknowledgments 30 \\
References 30",
}
@Article{Valdemoro:1997:CSE,
author = "C. Valdemoro and L. M. Tel and E. P{\'e}rez-Romero",
title = "The Contracted {Schr{\"o}dinger} Equation --- Some
Results",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "33--46",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60205-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602051",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 34 \\
2. Theoretical Outline 35 \\
3. RDM's Approximations 38 \\
4. Computational Details 42 \\
5. Results and General Discussion 43 \\
6. Acknowledgments 45 \\
References 45",
}
@Article{Wilson:1997:DGB,
author = "S. Wilson and D. Moncrieff",
title = "Distributed {Gaussian} Basis Sets: Some Recent Results
and Prospects",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "47--63",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60206-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602063",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 48 \\
2. Basis Sets for Atoms 49 \\
3. Distributed Gaussian Basis Sets 50 \\
4. Independent Particle Models 51 \\
5. Electron Correlation Effects 55 \\
6. Summary and Prospects 58 \\
7. Acknowledgments 59 \\
References 59",
}
@Article{Sutcliffe:1997:NMP,
author = "B. T. Sutcliffe",
title = "The Nuclear Motion Problem in Molecular Physics",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "65--80",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60207-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602075",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 66 \\
2. The Schr{\"o}dinger Equation for Bound Molecular
States 68 \\
3. Separating Electronic and Nuclear Motions 74 \\
4. The Relationship of Nuclear Motion to Electronic
Structure 76 \\
5. Conclusions 79 \\
References 79",
}
@Article{Muller-Plathe:1997:CQC,
author = "Florian M{\"u}ller-Plathe",
title = "Combining Quantum Chemistry and Molecular Simulation",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "81--87",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60208-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602087",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 82 \\
2. Hybrid Method 83 \\
3. The Conformations of Dimethoxy Ethane in Aqueous
Solution 84 \\
4. Prospects and Loose Ends 86 \\
References 87",
}
@Article{Coutinho:1997:SES,
author = "Kaline Coutinho and Sylvio Canuto",
title = "Solvent Effects from a Sequential {Monte-Carlo} ---
Quantum Mechanical Approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "89--105",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60209-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602099",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 90 \\
2. Monte Carlo Simulation 92 \\
3. Sequential Monte Carlo --- Quantum Mechanical
Analysis 95 \\
4. Summary 102 \\
5. Acknowledgments 103 \\
References 103",
}
@Article{Sabin:1997:EDS,
author = "John R. Sabin",
title = "Energy Deposition of Swift Alphas in Neon: An Electron
Nuclear Dynamics Study",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "107--118",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60210-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602105",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 108 \\
2. Theory 110 \\
3. Results 114 \\
4. Summary 117 \\
5. Acknowledgments 117 \\
References 117",
}
@Article{Moszynski:1997:TMS,
author = "Robert Moszynski and Tino G. A. Heijmen and Paul E. S.
Wormer and Ad van der Avoird",
title = "Theoretical Modeling of Spectra and Collisional
Processes of Weakly Interacting Complexes",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "119--140",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60211-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602117",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 120 \\
2. Ab Initio Potential Energy Surfaces 121 \\
3. Ab Initio Interaction-Induced Properties 123 \\
4. Applications 125 \\
5. Summary and Conclusions 138 \\
References 138",
}
@Article{Karelson:1997:QCT,
author = "Mati Karelson",
title = "Quantum Chemical Treatment of Molecules in Condensed
Disordered Media",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "141--157",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60212-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602129",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 142 \\
2. Aqueous Free Energies of Solvation of Organic
Compounds 145 \\
3. Tautomeric Equilibrium Constants 150 \\
4. Dipole Moments and Charge Distribution 152 \\
5. Conclusions 154 \\
References 154",
}
@Article{Bielinska-Waz:1997:DSM,
author = "Dorota Bieli{\'n}ska-W{\k{a}}{\.z} and Jacek
Karwowski",
title = "Determining the Shapes of Molecular Electronic Bands
from Their Intensity Distribution Moments",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "159--169",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60213-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602130",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 160 \\
2. General Theory 162 \\
3. One-Dimensional Problems 163 \\
4. Results 165 \\
5. Summary 168 \\
6. Acknowledgments 168 \\
References 168",
}
@Article{Korona:1997:CSA,
author = "Tatiana Korona and Robert Moszynski and Bogumi{\l}
Jeziorski",
title = "Convergence of Symmetry-Adapted Perturbation Theory
for the Interaction Between Helium Atoms and Between a
Hydrogen Molecule and a Helium Atom",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "171--188",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60214-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602142",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 172 \\
2. Method 173 \\
3. Computational Details 177 \\
4. Numerical Results and Discussion i 78 \\
References 186",
}
@Article{Klobukowski:1997:EAS,
author = "M. Klobukowski and G. H. F. Diercksen and J. M.
{Garc{\'\i}a de la Vega}",
title = "Electron Affinity of {SF$_6$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "189--203",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60215-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602154",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 190 \\
2. Calculations Using Standard Basis Sets 192 \\
3. Development of Extended Basis Sets 194 \\
4. Calculations with Optimized Basis Sets 197 \\
5. Summary 199 \\
6. Acknowledgments 200 \\
References 200",
}
@Article{Lavin:1997:ORR,
author = "C. Lav{\'\i}n and I. Martin",
title = "The Oxonium {Rydberg} Radical: Electronic
Transitions",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "205--218",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60216-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602166",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 206 \\
2. Computational Procedure 208 \\
3. Results and Analysis 211 \\
4. Concluding Remarks 216 \\
5. Acknowledgments 216 \\
References 217",
}
@Article{Batandjieva:1997:ISF,
author = "Borislava Batandjieva and Ingrid Miadokov{\'a} and
Ivan Cernu{\v{s}}{\'a}k",
title = "An {{\em ab initio}} study of four-membered rings.
Boranes {HBXYBH}; ({X}, ${Y}$ = {C}, {N}, {O})",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "219--234",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60217-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602178",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 220 \\
2. Computational Details 221 \\
3. Results and Discussion 224 \\
4. Summary 232 \\
5. Acknowledgments 232 \\
References 232",
}
@Article{Janoschek:1997:SSM,
author = "Rudolf Janoschek",
title = "{SiN$_2$} and {SiN$_4$} Molecules: An ab Initio Study
of Molecular and Electronic Structure, Stability, and
{IR} Activity",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "235--245",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60218-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860218X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 236 \\
2. Computational Methods 237 \\
3. Computational Results 238 \\
4. Conclusions 243 \\
References 244",
}
@Article{Fowler:1997:SLR,
author = "P. W. Fowler and S. A. Peebles and A. C. Legon",
title = "A {Sternheimer}-Like Response Property of the Bromine
Molecule: Electric Field Dependence of the {Br} Field
Gradient",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "247--256",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60219-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602191",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 248 \\
2. Ab Initio Calculations on Br$_2$ 248 \\
3. Ab Initio Calculations on H$_3$N $\cdots$ Br$_2$ 251
\\
4. The Townes-Dailey Model 251 \\
5. An Empirical Value for the Response Tensor
$g_{zz,z}({\rm Br})$ 253 \\
References 255",
}
@Article{Barysz:1997:MPB,
author = "Maria Barysz and Miroslav Urban",
title = "Molecular Properties of Boron-Coinage Metal Dimers:
{BCu}, {BAg}, {BAu}",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "257--272",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60220-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602208",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 258 \\
2. Basis Sets and Computational Methods 259 \\
3. Results and Discussion 262 \\
4. Conclusions 269 \\
5. Acknowledgments 270 \\
References 270",
}
@Article{Kochanski:1997:DTW,
author = "E. Kochanski and R. Kelterbaum and S. Klein and M. M.
Rohmer and A. Rahmouni",
title = "Decades of Theoretical Work on Protonated Hydrates",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "273--291",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60221-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860221X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 274 \\
2. Historical Evolution of Theoretical Studies on PH
274 \\
3. Theoretical Treatments and Techniques 275 \\
4. The Results 280 \\
5. Conclusion 286 \\
References 286",
}
@Article{Ventura:1997:DFT,
author = "Oscar N. Ventura and Martina Kieninger and Kenneth
Irving",
title = "Density Functional Theory: {A} Useful Tool for the
Study of Free Radicals",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "293--309",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60222-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602221",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 294 \\
2. Geometrical Structure of Simple Radicals 297 \\
3. Thermodynamics 299 \\
4. Reactivity 301 \\
5. Conclusions 306 \\
6. Acknowledgments 306 \\
References 306",
}
@Article{Wybourne:1997:GHF,
author = "B. G. Wybourne",
title = "Guesses --- Hunches --- Formulae --- Discoveries",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "311--318",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60223-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602233",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 312 \\
2. Spinors and the Rotation Group 312 \\
3. Reduced Notation and the Symmetric Group 313 \\
4. Kronecker Products for Two-Row Shapes 314 \\
5. $n$-Noninteracting Particles in a Harmonic
Oscillator Potential 315 \\
6. Concluding Remarks 317 \\
7. Acknowledgments 317 \\
References 317",
}
@Article{Smith:1997:AAI,
author = "F. J. Smith and M. Sullivan and J. Collis and S.
Loughlin",
title = "Applying Artificial Intelligence in Physical
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "319--328",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60224-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602245",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 320 \\
2. Nature of Knowledge 321 \\
3. Related Work 323 \\
4. Object Oriented Knowledge Representation 323 \\
5. Manipulation of Data 325 \\
6. Example of AI Technique 325 \\
7. Application to Molecular Computations 326 \\
References 327",
}
@Article{Duch:1997:AIS,
author = "W{\l}odzis{\l}aw Duch",
title = "Artificial Intelligence Support for Computational
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "329--343",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60225-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602257",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 330 \\
2. What Can AI Offer? 332 \\
3. Feature Space Mapping 336 \\
4. Classification of Computational Chemistry Results
339 \\
5. Summary 342 \\
References 342",
}
@Article{Kilpatrick:1997:ADT,
author = "P. L. Kilpatrick and N. S. Scott",
title = "Abstract Data Types In The Construction Of
Knowledge-Based Quantum Chemistry Software",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "345--359",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60226-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602269",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 346 \\
2. Abstract Data Types and Production Rules 346 \\
3. An ADT and Its Associated Production Rule Set for a
Simple Configuration Interaction Expansion Problem 350
\\
4. Summary 358 \\
5. Acknowledgments 359 \\
References 359",
}
@Article{Anonymous:1997:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "361--370",
year = "1997",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 17:57:15 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "xii--xiv",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60199-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601999",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1997:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "iv--iv",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60198-7",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601987",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1997:CPc,
author = "Anonymous",
title = "Conference Participants",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "xvii--xviii",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60201-4",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602014",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Anonymous:1997:EBa,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "??--??",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60196-3",
ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601963",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Diercksen:1997:IR,
author = "Geerd H. F. Diercksen",
title = "Introductory Remarks",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "xix--xix",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60202-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602026",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Karwowski:1997:P,
author = "Jacek Karwowski and John R. Sabin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "28",
pages = "xv--xvi",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60200-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602002",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Rosen:1997:TTY,
author = "Arne Ros{\'e}n",
title = "Twenty to thirty years of {DV--X$\alpha$}
calculations: {A} survey of accuracy and applications",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "1--47",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60262-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602622",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
}
@Article{Adachi:1997:ESC,
author = "Hirohiko Adachi",
title = "Electronic State Calculation of Transition Metal
Cluster",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "49--81",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60263-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602634",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Yukawa:1997:NCB,
author = "H. Yukawa and M. Morinaga",
title = "The Nature of the Chemical Bond in Hydrogen Storage
Compounds",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "83--108",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60264-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602646",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Fricke:1997:UDX,
author = "B. Fricke and W.-D. Sepp and T. Bastug and S. Varga
and K. Schulze and J. Anton and V. Pershina",
title = "Use of the {DV--X$\alpha$}-Method in the Field of
Superheavy Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "109--121",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60265-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602658",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Volume table of contents erroneously omits V. Pershina
from author list.",
}
@Article{Sekine:1997:ESM,
author = "Rika Sekine and Hirohide Nakamatsu and Takeshi
Mukoyama and Jun Onoe and Masaru Hirata and Masayoshi
Kurihara and Hirohiko Adachi",
title = "Electronic Structures of Metal Carbides {TiC} and
{UC}: Similarity and Dissimilarity",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "123--136",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60266-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860266X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Gutsev:1997:NPW,
author = "Gennady L. Gutsev",
title = "Numerical Pseudopotentials within {DV--X$\alpha$}
Framework",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "137--157",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60267-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602671",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Nagy:1997:DFT,
author = "{\'A}gnes Nagy",
title = "Density Functional Theory for Excited States",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "159--178",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60268-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602683",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Adachi:1997:TCM,
author = "Hirohiko Adachi",
title = "Theoretical Calculation of Molecular Photoelectron
Spectrum by the First-Principles {DV--X$\alpha$}
Molecular Orbital Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "179--192",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60269-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602695",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kimura:1997:ESS,
author = "Hitoshi Kimura and Syunji Imanaga and Yoshinori
Hayafuji and Hirohiko Adachi",
title = "The Electronic Structure of Silicon Clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "193--206",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60270-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602701",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Cserny:1997:SVB,
author = "I. Cserny",
title = "Studies of the Valence Band of Tetrahedral Oxyanions",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "207--232",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60271-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602713",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kowada:1997:AEC,
author = "Y. Kowada and D. E. Ellis",
title = "Application of the Embedded Cluster Method to the
Electronic State of Silicate Glasses",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "233--251",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60272-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602725",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Takahashi:1997:BST,
author = "Masao Takahashi and Gao-Chao Lai and Katsuhiro Ohta
and Fumikazu Kanamaru",
title = "Bond Strength and Thermal Stability of Transition
Metal Nitrides",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "253--268",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60273-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602737",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Fukushima:1997:ESI,
author = "Kimichika Fukushima and Hiroshi Endo",
title = "Electronic States of Impurities and Their Effect on
Material Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "269--283",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60274-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602749",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Morishita:1997:ESO,
author = "Masao Morishita and Koichiro Koyama and Akinori
Hatamoto and Masahiko Morinaga and Hirohiko Adachi",
title = "Electronic States of Oxygen Ions of Molten Slags Used
for Iron and Steel Making",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "285--296",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60275-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602750",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Mukoyama:1997:XRE,
author = "Takeshi Mukoyama and Kazuo Taniguchi and Hirohiko
Adachi",
title = "{X}-Ray Emission in Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "297--328",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60276-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602762",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kawai:1997:DXC,
author = "Jun Kawai",
title = "{DV--X$\alpha$} Calculation of {X}-Ray Emission
Spectra",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "329--355",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60277-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602774",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Yamashita:1997:XRA,
author = "Seiichi Yamashita and Manabu Fujiwara and Yuko Kato
and Toshio Yamaguchi and Hisanobu Wakita and Hirohiko
Adachi",
title = "{X}-Ray Absorption Near Edge Structure Study and
{DV--X$\alpha$} Calculations on Some Square-planar
Copper({II}) Complexes with Macrocyclic Ligands",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "357--371",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60278-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602786",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hartmann:1997:SWD,
author = "Eberhard Hartmann and Christa Lauterbach",
title = "Scattered-Wave Description of Inner-Shell Processes in
Small Molecules and Clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "373--387",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60279-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602798",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Uda:1997:ROR,
author = "M. Uda and T. Yamamoto and T. Takenaga",
title = "Resonant Orbital Rearrangement During {F} {$1s$}
Ionization or Decay Process",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "389--419",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60280-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602804",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kovacs:1997:CTA,
author = "Zs. Kov{\'a}cs and L. K{\"o}v{\'e}r and H. Adachi",
title = "Charge Transfer in {Al--Ni} Alloys: {A} Spin-Selective
Study",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "421--431",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60281-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602816",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Paragi:1997:CEB,
author = "G. Paragi and I. K. Gy{\'e}m{\'a}nt and Zs. Varga",
title = "Core-electron binding energy shifts in aluminium",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "433--439",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60282-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602828",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Ogasawara:1997:ACH,
author = "Kazuyoshi Ogasawara and Isao Tanaka and Hirohiko
Adachi",
title = "Analysis of Core-Hole Effect in Cation
{L$_{2,3}$}-Edge of {MgO}, $\alpha$-{Al$_2$O$_3$} and
{SiO$_2$} Based on {DV--X$\alpha$} Cluster
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "441--466",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60283-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860283X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Uda:1997:CR,
author = "M. Uda",
title = "Concluding Remarks",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "467--469",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60284-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602841",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1997:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
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@Article{Anonymous:1997:Cb,
author = "Anonymous",
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acknowledgement = ack-nhfb,
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fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1997:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "iv--iv",
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}
@Article{Anonymous:1997:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "??--??",
year = "1997",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kover:1997:F,
author = "L. K{\"o}v{\'e}r",
title = "Foreword",
journal = j-ADV-QUANTUM-CHEM,
volume = "29",
pages = "xv--xvi",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60261-0",
ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608602610",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nordling:1998:FDA,
author = "Carl Nordling",
title = "Four Decades of Atomic Physics: {A} Review of {Ingvar
Lindgren}'s Career Until Now",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "1--4",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60499-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604992",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
}
@Article{Ramsey:1998:SHC,
author = "Norman F. Ramsey",
title = "Spectroscopy with Highly Coherent Radiation",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "5--18",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60500-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
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Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605006",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Phillips:1998:AOL,
author = "William D. Phillips",
title = "Atoms in Optical Lattices: Cooling, Trapping and
Squeezing Atoms with Light",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "19--39",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60501-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605018",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Wineland:1998:CQS,
author = "D. J. Wineland and C. Monroe and D. M. Meekhof and B.
E. King and D. Leibfried and W. M. Itano and J. C.
Bergquist and D. Berkeland and J. J. Bollinger and J.
Miller",
title = "Coherent Quantum State Manipulation of Trapped Atomic
Ions",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "41--64",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60502-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860502X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hoffges:1998:RFS,
author = "J. T. H{\"o}ffges and H. W. Baldauf and T. Eichler and
S. R. Helmfrid and H. Walther",
title = "Resonance Fluorescence of {A} Single Ion",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "65--75",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60503-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605031",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Mohr:1998:QEF,
author = "Peter Mohr",
title = "Quantum Electrodynamics and the Fundamental
Constants",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "77--97",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60504-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605043",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hughes:1998:HPS,
author = "Vernon W. Hughes",
title = "High Precision Spectroscopy of Positronium and
Muonium",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "99--123",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60505-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605055",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Soff:1998:QES,
author = "Gerhard Soff and T. Beier and M. Greiner and H.
Persson and G. Plunien",
title = "Quantum Electrodynamics of Strong Fields: Status and
Perspectives",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "125--161",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60506-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605067",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Mahapatra:1998:SSM,
author = "Uttam Sinha Mahapatra and Barnali Datta and Barun
Bandyopadhyay and Debashis Mukherjee",
title = "State-Specific Multi-reference Coupled Cluster
Formulations: Two Paradigms",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "163--193",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60507-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605079",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Greiner:1998:CV,
author = "Walter Greiner",
title = "Correlations in the Vacuum",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "195--208",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60508-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605080",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Svanberg:1998:HPL,
author = "S. Svanberg",
title = "High-Power Lasers and Their Applications",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "209--233",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60509-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605092",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Rosen:1998:PTT,
author = "Arne Ros{\'e}n",
title = "A Periodic Table in Three Dimensions: {A} Sightseeing
Tour in the Nanometer World",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "235--272",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60510-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605109",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Fricke:1998:RDC,
author = "B. Fricke and J. Anton and K. Schulze and W.-D. Sepp
and P. K{\"u}rpick",
title = "Relativistic and Dynamic Contributions in Ion-Atom and
Ion-Solid Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "273--282",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60511-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605110",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Berzinsh:1998:ARL,
author = "U. Berzinsh and S. Svanberg",
title = "Atomic Radiative Lifetimes Measured by Pulsed Laser
Spectroscopy in the {UV\slash VUV} Spectral Region",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "283--299",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60512-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605122",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Zou:1998:TES,
author = "Yaming Zou and Tomas Brage and Indrek Martinson",
title = "A Theoretical and Experimental Study of the Quartet
System of ${B}$ ${I}$",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "301--310",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60513-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605134",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hanstorp:1998:TED,
author = "D. Hanstorp and G. Haeffler and A. E. Klinkm{\"u}ller
and U. Ljungblad and U. Berzinsh and I. Yu. Kiyan and
D. J. Pegg",
title = "Two Electron Dynamics in Photodetachment",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "311--334",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60514-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605146",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Persson:1998:CLS,
author = "J. R. Persson",
title = "Collinear Laser Spectroscopy on Radioactive Isotopes",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "335--342",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60515-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605158",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Gustavsson:1998:FDH,
author = "Martin G. H. Gustavsson and Ann-Marie
M{\aa}rtensson-Pendrill",
title = "Four Decades of Hyperfine Anomalies",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "343--360",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60516-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860516X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Ekstrom:1998:SMN,
author = "Curt Ekstr{\"o}m",
title = "Spins and Moments of Nuclei Far from Stability
Determined by On-Line Atomic-Beam Techniques",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "361--378",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60517-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605171",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Persson:1998:RCP,
author = "Hans Persson and Sten Salomonson and Per Sunnergren",
title = "Regularization Corrections to the Partial-Wave
Renormalization Procedure",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "379--392",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60518-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605183",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Labzowsky:1998:RSC,
author = "L. N. Labzowsky and M. A. Tokman",
title = "The Reference State {Coulomb-Breit} {QED} Corrections
for the Few-Electron Highly Charged Ions",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "393--413",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60519-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605195",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Lowdin:1998:SAB,
author = "Per-Olov L{\"o}wdin",
title = "Some Aspects on the {Bloch--Lindgren} Equation and a
Comparison with the Partitioning Technique",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "415--432",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60520-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605201",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Sucher:1998:WFB,
author = "J. Sucher",
title = "What Is the Force Between Electrons?",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "433--443",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60521-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605213",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Pendrill:1998:APL,
author = "L. R. Pendrill and L. Robertsson",
title = "Atomic Physics and the Laser Metrology of Time and
Length",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "445--468",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60522-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605225",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Rubinsztein-Dunlop:1998:OTA,
author = "H. Rubinsztein-Dunlop and T. A. Nieminen and M. E. J.
Friese and N. R. Heckenberg",
title = "Optical Trapping of Absorbing Particles",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "469--492",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60523-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605237",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1998:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "493--506",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 18:49:21 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "ix--xii",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60497-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604979",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "iv--iv",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60496-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604967",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "??--??",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60494-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604943",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hanstorp:1998:P,
author = "Dag Hanstorp and Hans Persson",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "30",
pages = "xiii--xiii",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60498-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604980",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sutcliffe:1998:QSC,
author = "B. T. Sutcliffe",
title = "Quantum Systems in Chemistry and Physics: Some Hopes
and Fears",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "1--13",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60180-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860180X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{McWeeny:1998:SQS,
author = "Roy McWeeny",
title = "Separability of Quantum Systems: {A} Density Matrix
Approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "15--35",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60181-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601811",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Valdemoro:1998:FOC,
author = "C. Valdemoro and M. P. de Lara-Castells and E.
{P{\'e}rez-Romero} and L. M. Tel",
title = "The first order contracted density equations:
correlation effects",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "37--52",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60182-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601823",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Delchev:1998:CCA,
author = "Ya. I. Delchev and A. I. Kuleff and Jean Maruani and
R. L. Pavlov",
title = "A Consistent Calculation of Atomic Energy Shell
Corrections: {Strutinsky}'s Method in the
{Hartree--Fock--Roothaan} Scheme",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "53--73",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60183-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601835",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Masik:1998:MBW,
author = "J. M{\'a}{\v{s}}ik and I. Huba{\v{c}}",
title = "Multireference {Brillouin--Wigner} Coupled-Cluster
Theory: Single-Root Approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "75--104",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60184-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601847",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{VanMourik:1998:EBS,
author = "Tanja {Van Mourik} and Angela K. Wilson and Kirk A.
Peterson and David E. Woon and Thom H. {Dunning, Jr.}",
title = "The Effect of Basis Set Superposition Error ({BSSE})
on the Convergence of Molecular Properties Calculated
with the Correlation Consistent Basis Sets",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "105--135",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60185-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601859",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
xxauthor = "T. van Mourik and A. K. Wilson and K. A. Peterson and
D. E. Woon and T. H. {Dunning, Jr.}",
}
@Article{Kaplan:1998:REC,
author = "I. G. Kaplan",
title = "Role of Electron Correlation in Nonadditive Forces and
{{\em ab initio}} Model Potentials for Small Metal
Clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "137--156",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60186-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601860",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Moncrieff:1998:DGB,
author = "D. Moncrieff and S. Wilson",
title = "Distributed {Gaussian} Basis Sets in Correlation
Energy Studies: The Second Order Correlation Energy for
the Ground State of the Hydrogen Molecule",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "157--172",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60187-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601872",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Rychlewski:1998:ECF,
author = "Jacek Rychlewski",
title = "Explicitly Correlated Functions in Molecular Quantum
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "173--199",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60188-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601884",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Avery:1998:MES,
author = "John Avery",
title = "Many-Electron {Sturmians} as an Alternative to the
{SCF--CI} Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "201--229",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60189-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601896",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kozmutza:1998:SWI,
author = "Cornelia Kozmutza and Ern{\H{o}} Tfirst",
title = "A Study of Weakly Interacting Systems in Localized
Representation, Including the Many-Body Effect",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "231--250",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60190-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601902",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Yes, second author is ``Tfirst''.",
}
@Article{Gianinetti:1998:ESM,
author = "E. Gianinetti and I. Vandoni and A. Famulari and M.
Raimondi",
title = "Extension of the {SCF--MI} Method to the Case of {$K$}
Fragments, one of which is an Open-Shell System",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "251--266",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60191-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601914",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Thorsteinsson:1998:PCP,
author = "Thorstein Thorsteinsson and Sten Rettrup",
title = "Parallelization of the {CI} Program {PEDICI}",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "267--282",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60192-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601926",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Shalabi:1998:CMB,
author = "A. S. Shalabi and S. Wilson",
title = "On the Convergence of the Many-Body Perturbation
Theory Second-Order Energy Component for Negative Ions
Using Systematically Constructed Basis Sets of
Primitive {Gaussian}-Type Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "283--311",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60193-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601938",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kaldor:1998:HAC,
author = "Uzi Kaldor and Ephraim Eliav",
title = "High-Accuracy Calculations for Heavy and Super-Heavy
Elements",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "313--336",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60194-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860194X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1998:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "337--345",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 18:56:53 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:AE,
author = "Anonymous",
title = "Advisory Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "??--??",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60173-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601732",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:CVa,
author = "Anonymous",
title = "Contributors Volume 31",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "xi--xiii",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60176-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601768",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
xxpages = "vii--viii",
}
@Article{Anonymous:1998:CVb,
author = "Anonymous",
title = "Contents Volume 31",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "ix--x",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 18:56:53 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CVc,
author = "Anonymous",
title = "Contributors Volume 32",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "xi--xiii",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60177-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860177X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "The volume is 31, but the contributor list is for
volume 32.",
xxpages = "vii--viii",
}
@Article{Anonymous:1998:WPa,
author = "Anonymous",
title = "Workshop Participants",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "xvii--xix",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60179-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601793",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Wilson:1998:Pa,
author = "S. Wilson",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "31",
pages = "xv--xvi",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60178-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608601781",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Quiney:1998:IRQ,
author = "H. M. Quiney and H. Skaane and I. P. Grant",
title = "Ab Initio Relativistic Quantum Chemistry: Four
Components Good, Two Components Bad!",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "1--49",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60405-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604050",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Cooper:1998:MVR,
author = "David L. Cooper and Thorstein Thorsteinsson and Joseph
Gerratt",
title = "Modern {VB} Representations of {CASSCF} Wave Functions
and the Fully Variational Optimization of Modern {VB}
Wave Functions Using the {CASVB} Strategy",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "51--67",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60406-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604062",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Kalemos:1998:ESS,
author = "Apostolos Kalemos and Aristides Mavridis",
title = "On the Electronic Structure of {ScB$^+$}: Ground and
Low-Lying Excited States",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "69--91",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60407-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604074",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Szarecka:1998:EBS,
author = "A. Szarecka and G. Day and P. J. Grout and S. Wilson",
title = "On the Effects of Basis Set Truncation and Electron
Correlation in Conformers of 2-Hydroxy-acetamide",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "93--107",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60408-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604086",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hoffmann:1998:GPC,
author = "Marcin Hoffmann and Agnieszka Szarecka and Jacek
Rychlewski",
title = "Gas-Phase Conformational Analysis of
({R},{R})-Tar\-tar\-ic Acid, Its Diamide,
{N},{N},{N}',{N}'-Tetra\-meth\-yl\-di\-amide, and Model
Compounds",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "109--125",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60409-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604098",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Petrongolo:1998:RTD,
author = "Carlo Petrongolo",
title = "Recent Theoretical Developments in
Conical-Intersection Effects in Triatomic Spectra",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "127--144",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60410-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604104",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Smeyers:1998:IDB,
author = "Y. G. Smeyers and M. L. Senent and M. Villa",
title = "{{\em Ab initio}} Determination of Band Structures of
Vibrational Spectra of Nonrigid Molecules: Applications
to Methylamine and Dimethylamine",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "145--166",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60411-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604116",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Woolley:1998:GIM,
author = "R. G. Woolley",
title = "Gauge Invariance and Multipole Moments",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "167--180",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60412-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604128",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Martin:1998:VET,
author = "I. Martin and C. Lav{\'\i}n and Y. P{\'e}rez-Delgado
and J. Karwowski and G. H. F. Diercksen",
title = "Vertical Electron Transitions in {Rydberg} Radicals",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "181--196",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60413-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860413X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Veniard:1998:TDQ,
author = "V. V{\'e}niard and R. Ta{\"\i}eb and A. Maquet",
title = "Time-Dependent Quantum Treatment of Two-Colour
Multiphoton Ionization Using a Strong Laser Pulse and
High-Order Harmonic Radiation",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "197--205",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60414-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604141",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Bylicki:1998:MIC,
author = "Miroslaw Bylicki",
title = "Methods Involving Complex Coordinates Applied to
Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "207--226",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60415-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604153",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Amovilli:1998:RAD,
author = "Claudio Amovilli and Vincenzo Barone and Roberto Cammi
and Eric Canc{\`e}s and Maurizio Cossi and Benedetta
Mennucci and Christian S. Pomelli and Jacopo Tomasi",
title = "Recent Advances in the Description of Solvent Effects
with the Polarizable Continuum Model",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "227--261",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60416-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604165",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Raimondi:1998:NIV,
author = "M. Raimondi and A. Famulari and E. Gianinetti and M.
Sironi and R. Specchio and I. Vandoni",
title = "New ab Initio {VB} Interaction Potential for Molecular
Dynamics Simulation of Liquid Water",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "263--284",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60417-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604177",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Keith:1998:SSE,
author = "G. J. A. Keith and P. J. Grout and S. Wilson",
title = "Systematic Sequences of Even-Tempered {Gaussian}
Primitives for Diatomic Molecules in Solution: {A}
Preliminary Study Using Continuum Solvation Models",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "285--313",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60418-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604189",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Linderberg:1998:BTS,
author = "Jan Linderberg",
title = "Beyond the Transition State Treatment",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "315--330",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60419-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604190",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1998:Ic,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "331--338",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:01:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CPc,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "iv--iv",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60401-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604013",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:CVd,
author = "Anonymous",
title = "Contents Volume 31",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "xi--xii",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:01:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CVe,
author = "Anonymous",
title = "Contributors Volume 32",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "vii--ix",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60402-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604025",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Anonymous:1998:EBc,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "??--??",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60399-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608603998",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:WPb,
author = "Anonymous",
title = "Workshop Participants",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "xvii--xix",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60404-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604049",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Wilson:1998:Pb,
author = "S. Wilson",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "32",
pages = "xv--xvi",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60403-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604037",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Perdew:1998:WDG,
author = "John P. Perdew and Matthias Ernzerhof and Ales Zupan
and Kieron Burke",
title = "Why Density-Gradient Corrections Improve Atomization
Energies and Barrier Heights",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "1--9",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60426-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604268",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Energy Functionals and Chemical Energetics 1 \\
2. Qualitative Explanations for Functional Performance
3 \\
3. Density Parameters and Their Averages 3 \\
4. Quantitative Explanation of Functional Performance 6
\\
References 8",
}
@Article{Ivanov:1998:SOR,
author = "Stanislav Ivanov and Mel Levy",
title = "Second-Order Relations Involving Correlation Energy
and Its Functional Derivative",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "11--29",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60427-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860427X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 12 \\
2. Definitions 14 \\
3. Different Correlation Energy Functionals 17 \\
4. Identification of $\lim_{\lambda \rightarrow \infty}
E^{QC}^C[n^{HF}_\lambda]$ 19 \\
5. Numerical Results 20 \\
6. Relationships Involving the High-Density Limit of
the Correlation Potential 22 \\
7. Closing Remarks 26 \\
References 27",
}
@Article{Kreibich:1998:APO,
author = "T. Kreibich and S. Kurth and T. Grabo and E. K. U.
Gross",
title = "Asymptotic Properties of the Optimized Effective
Potential",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "31--48",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60428-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604281",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 31 \\
2. The OEP Method 32 \\
3. Approximation of Krieger, Li, and Iafrate 44 \\
References 47",
}
@Article{Ludena:1998:RDL,
author = "E. V. Lude{\~n}a and R. L{\'o}pez-Boada and V.
Karasiev and R. Pino and E. Valderrama and J. Maldonado
and R. Colle and J. Hinze",
title = "Recent Developments in the Local-Scaling
Transformation Version of Density Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "49--70",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60429-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604293",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 49 \\
2. Kinetic and Exchange Energy for Atoms in LS-DFT 50
\\
3. Electronic Correlation in LS-DFT 60 \\
4. Discussion 66 \\
References 68",
}
@Article{Nesbet:1998:SCP,
author = "R. K. Nesbet",
title = "In Search of the Correlation Potential",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "71--83",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60430-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860430X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 72 \\
2. Reference-State Density Functional Theory 73 \\
3. Local Response Model 77 \\
4. The Bound-Free Correlation Potential 79 \\
5. Conclusions 80 \\
References 82",
}
@Article{Gonis:1998:PPC,
author = "A. Gonis and T. C. Schulthess and P. E. A. Turchi and
J. van Ek",
title = "The $n$-Particle Picture and the Calculation of the
Electronic Structure of Atoms, Molecules, and Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "85--104",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60431-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604311",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 85 \\
2. Basic Notions 88 \\
3. Generalization of the Hartree--Fock Approximation 94
\\
4. Generalization of DFT 98 \\
5. Discussion 102 \\
References 103",
}
@Article{Lembarki:1998:GCE,
author = "A. Lembarki and H. Razafinjanahary and H. Chermette
and F. Rogemond",
title = "Gradient-Corrected Exchange Potential Functional with
the Correct Asymptotic Behaviour",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "105--130",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60432-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604323",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 106 \\
2. Towards a Hierarchy in the Conditions Fulfilled by
the Functionals 109 \\
3. Importance of the Asymptotic Behaviour for the
Potential 113 \\
4. Calculation Details 115 \\
5. Results and Discussion 116 \\
6. Concluding Remarks 122 \\
References 125",
xxauthor = "H. Chermette and A. Lembarki and H. Razafinjanahary
and F. Rogemond",
}
@Article{Percus:1998:AFR,
author = "J. K. Percus",
title = "Auxiliary Field Representation of Fermion Kinetic
Energy Density Functional",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "131--150",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60433-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604335",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 131 \\
2. Background 132 \\
3. Free Fermions, General 135 \\
4. Extended Generating Functionals 138 \\
5. $\hat{F}\{n_\nu\}$ in One Dimension 140 \\
6. Semi-classical Viewpoint 142 \\
7. Explicit Functionals 145 \\
8. Prospects 148 \\
References 150",
}
@Article{Kleinman:1998:UEK,
author = "Leonard Kleinman and D. M. Bylander",
title = "Using the Exact {Kohn--Sham} Exchange Energy Density
Functional and Potential to Study Errors Introduced by
Approximate Correlation Functionals",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "151--165",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60434-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604347",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 152 \\
2. KLI Method and Atomic Energies 153 \\
3. Gradient Corrections in Crystals 157 \\
4. Conclusions 162 \\
References 164",
}
@Article{Dunlap:1998:QCM,
author = "Brett I. Dunlap and Robert W. Warren",
title = "Quantum Chemical Molecular Dynamics",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "167--187",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60435-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604359",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 167 \\
2. Forces and Fractional Occupation Numbers 169 \\
3. Collinear Ozone Collisions 172 \\
4. Collinear (NO)$_{12}$ Collisions 178 \\
5. Halide Photodissociation 181 \\
6. Conclusions 184 \\
References 185",
}
@Article{Nekovee:1998:QMC,
author = "Maziar Nekovee and W. M. C. Foulkes and A. J.
Williamson and G. Rajagopal and R. J. Needs",
title = "A Quantum {Monte Carlo} Approach to the Adiabatic
connection Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "189--207",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60436-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604360",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 190 \\
2. The Adiabatic Connection 191 \\
3. Quantum Monte Carlo Realization 194 \\
4. Cosine-Wave Jellium 196 \\
5. Results and Discussion 199 \\
References 206",
}
@Article{Schmid:1998:FPL,
author = "R. N. Schmid and E. Engel and R. M. Dreizler and P.
Blaha and K. Schwarz",
title = "Full Potential Linearized-{Augmented-Plane-Wave}
Calculations for $5d$ Transition Metals Using the
Relativistic Generalized Gradient Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "209--223",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60437-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604372",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction and Summary of Results 209 \\
2. Theoretical Background 211 \\
3. Computational Details 214 \\
4. Results 215 \\
References 220",
}
@Article{Gonze:1998:IFC,
author = "Xavier Gonze",
title = "Interatomic Force Constants in Periodic Solids from
Density Functional Perturbation Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "225--239",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60438-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604384",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 225 \\
2. Formalism 226 \\
3. Interatomic Force Constants in Ionic and Covalent
Solids 231 \\
References 237",
}
@Article{Sahni:1998:RDE,
author = "Viraht Sahni and Alexander Solomatin",
title = "Recent Developments in the Electronic Structure of
Metal Surfaces",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "241--271",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60439-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604396",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 242 \\
2. Physical Interpretation of Kohn--Sham Theory 243 \\
3. Asymptotic Structure in Vacuum Region 250 \\
4. Structure of the Pauli and Correlation-Kinetic
Components of Kohn--Sham Exchange Potential 257 \\
5. Construction of Approximate Kohn--Sham Exchange
Energy Functional and Derivative with Exact Asymptotic
Structure 264 \\
6. Concluding Remarks 268 \\
References 269",
}
@Article{Mineva:1998:DFO,
author = "T. Mineva and N. Neshev and N. Russo and E. Sicilia
and M. Toscano",
title = "Density Functional Orbital Reactivity Indices:
Fundamentals and Applications",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "273--292",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60440-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604402",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 274 \\
2. Method 274 \\
3. Computational Details 281 \\
4. Results and Discussion 282 \\
5. Conclusions 288 \\
References 288",
}
@Article{Politzer:1998:DFC,
author = "Peter Politzer and Pat Lane",
title = "Density Functional Calculations of Reaction
Energetics: Application to Alkyl Azide Decomposition",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "293--302",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60441-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604414",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "Table of contents pages numbers are incorrect!",
tableofcontents = "1. Introduction 293 \\
2. Density Functional Calculations of Energies and
Enthalpies of Reaction 295 \\
3. An Application: Organic Azide Decomposition 295 \\
4. Summary 300 \\
References 301",
}
@Article{Geerlings:1998:DFT,
author = "P. Geerlings and F. {De Proft} and W. Langenaeker",
title = "Density Functional Theory: {A} Source of Chemical
Concepts and a Cost - Effective Methodology for Their
Calculation",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "303--328",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60442-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604426",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "Table of contents pages numbers are incorrect!",
tableofcontents = "1. Introduction 306 \\
2. Calculational vs. Conceptual DFT 305 \\
3. Calculation of DFT-Based Quantities:
Electronegativity and Hardness 310 \\
4. Rationalizing Chemical Interactions within the HSAB
Principle 317 \\
5. Conclusions 324 \\
References 325",
}
@Article{Molina:1998:PMP,
author = "L. M. Molina and M. J. L{\'o}pez and A. Rubio and L.
C. Balb{\'a}s and J. A. Alonso",
title = "Pure and Mixed {Pb} Clusters of Interest for Liquid
Ionic Alloys",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "329--348",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60443-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604438",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "Table of contents pages numbers are incorrect!",
tableofcontents = "1. Introduction 3329 \\
2. Pb$_n$ Clusters: Computational Details 330 \\
3. Pb$_n$ Clusters: Results 331 \\
4. Mixed Alkali--Pb Clusters 339 \\
5. Study of Na$_6$Pb Using the GGA 344 \\
6. Summary 346 \\
References 346",
}
@Article{Broclawik:1998:DFT,
author = "Ewa Broc{\l}awik",
title = "Density Functional Theory in Catalysis: Activation and
Reactivity of a Hydrocarbon Molecule on a Metallic
Active Site",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "349--367",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60444-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Dec 27 05:19:38 MST 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC Contents1st database; OCR scan conversion",
acknowledgement = ack-nhfb,
remark = "Table of contents pages numbers are incorrect!",
tableofcontents = "1. Introduction 349 \\
2. Methodological Remarks 350 \\
3. Catalytic Issues 351 \\
4. DFT Description of the Interaction of a Methane
Molecule with Active Sites 354 \\
5. Discussion and Conclusions 363 \\
References 366",
}
@Article{Broctawik:1998:DFT,
author = "Ewa Broctawik",
title = "Density Functional Theory in Catalysis: Activation and
Reactivity of a Hydrocarbon Molecule on a Metallic
Active site",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "349--367",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60444-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860444X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sanders:1998:RDH,
author = "Frank C. Sanders",
title = "Recent Developments in High-precision Computational
Methods for Simple Atomic and Molecular Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "369--387",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60445-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604451",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
remark = "Table of contents pages numbers are incorrect!",
tableofcontents = "1. Introduction 369 \\
2. Variational Methods 370 \\
3. Wave Functions 372 \\
4. Helium 373 \\
5. Lithium 377 \\
6. Beryllium and Onward 380 \\
7. Simple Molecules 383 \\
8. Summary 384 \\
References 385",
}
@Article{Anonymous:1998:Id,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "389--398",
year = "1998",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:08:12 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:Cc,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "xi--xiv",
year = "1998",
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ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:08:12 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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acknowledgement = ack-nhfb,
keywords = "Quantum chemistry",
}
@Article{Anonymous:1998:CPd,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "iv--iv",
year = "1998",
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DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60423-2",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604232",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:CVf,
author = "Anonymous",
title = "Contributors Volum 33",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "xi--xiv",
year = "1998",
CODEN = "AQCHA9",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604244",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1998:EBd,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "??--??",
year = "1998",
CODEN = "AQCHA9",
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ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604219",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Seminario:1998:P,
author = "Jorge M. Seminario",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "33",
pages = "xv--xviii",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60425-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604256",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Craig:1999:JGC,
author = "David Craig",
title = "A Journey with Good Companions. Fifty years of Quantum
Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "1--50",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60530-4",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605304",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
}
@Article{Ellis:1999:DVM,
author = "D. E. Ellis and Diana Guenzburger",
title = "The Discrete Variational Method in Density-Functional
Theory and Its Applications to Large Molecules and
Solid-State Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "51--141",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60531-6",
ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605316",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Sherrill:1999:CIM,
author = "C. David Sherrill and Henry F. {Schaefer III}",
title = "The Configuration Interaction Method: Advances in
Highly Correlated Approaches",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "143--269",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60532-8",
ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605328",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Bernholdt:1999:CAM,
author = "David E. Bernholdt and Rodney J. Bartlett",
title = "A Critical Assessment of Multireference-Fock Space
{CCSD} and Perturbative Third-Order Triples
Approximations for Photoelectron Spectra and
Quasidegenerate Potential Energy Surfaces",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "271--293",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60533-X",
ISSN = "0065-3276",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860533X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Piecuch:1999:ENC,
author = "Piotr Piecuch and Rodney J. Bartlett",
title = "{EOMXCC}: {A} New Coupled-Cluster Method for
Electronic Excited States",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "295--380",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60534-1",
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OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605341",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1999:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "381--388",
year = "1999",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:25:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "vii--vii",
year = "1999",
CODEN = "AQCHA9",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605286",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "iv--iv",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60527-4",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605274",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:EBa,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "??--??",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60525-0",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605250",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:P,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "34",
pages = "ix--x",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60529-8",
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bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605298",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Linderberg:1999:YOS,
author = "Jan Linderberg",
title = "{Yngve {\"O}hrn}, Scientist, Leader, and Friend",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "1--19",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60452-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604529",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
keywords = "Quantum chemistry",
}
@Article{Deumens:1999:TQM,
author = "Erik Deumens",
title = "Teaching Quantum Mechanics",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "21--31",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60453-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604530",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Ortiz:1999:TEO,
author = "J. V. Ortiz",
title = "Toward an Exact One-Electron Picture of Chemical
Bonding",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "33--52",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60454-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604542",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Longo:1999:SDP,
author = "Ricardo L. Longo",
title = "Spin Density Properties from the Electron Propagator:
Hyperfine and Nuclear Spin-Spin Couplings",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "53--76",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60455-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604554",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Deleuze:1999:NCT,
author = "M. S. Deleuze and L. S. Cederbaum",
title = "The New Challenges of the Theory of Ionization for
Polymers and Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "77--94",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60456-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604566",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Champagne:1999:TCP,
author = "Beno{\^\i}t Champagne and David H. Mosley and Joseph
G. Fripiat and Jean-Marie Andr{\'E}",
title = "Towards the Calculations of Polarizabilities of
Stereoregular Polymers",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "95--110",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60457-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604578",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Hattig:1999:DCS,
author = "Christof H{\"a}ttig and Poul J{\o}rgensen",
title = "Dispersion Coefficients for Second
Hyperpolarizabilities Using Coupled-Cluster Cubic
Response Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "111--148",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60458-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860458X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Sekino:1999:EPC,
author = "Hideo Sekino and Rodney J. Bartlett",
title = "On the Extensivity Problem in Coupled-Cluster Property
Evaluation",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "149--173",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60459-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604591",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Cabrera-Trujillo:1999:BSR,
author = "R. Cabrera-Trujillo and John R. Sabin and J.
Oddershede and Stephan P. A. Sauer",
title = "The {Bethe} Sum Rule and Basis Set Selection in the
Calculation of Generalized Oscillator Strengths",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "175--192",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60460-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604608",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Jensen:1999:MMS,
author = "Morten {\O}stergaard Jensen and Aage E. Hansen",
title = "The Molecular Magnetic Shielding Field: Response Graph
Illustrations of the Benzene Field",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "193--215",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60461-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860461X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Weiner:1999:TDV,
author = "B. Weiner and S. B. Trickey",
title = "Time-Dependent Variational Principle in Density
Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "217--247",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60462-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604621",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Krause:1999:QCS,
author = "Jeffrey L. Krause",
title = "Quantum Control in Semiconductor Heterostructures",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "249--260",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60463-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604633",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Mishra:1999:SPC,
author = "Vandana K. Mishra and Manoj K. Mishra",
title = "Selective Photodynamic Control of Chemical Reactions:
{A} {Rayleigh--Ritz} Variational Approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "261--281",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60464-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604645",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Yes, the first author is ``Vandana K.'', NOT ``K.
Vandana''.",
}
@Article{Simons:1999:SCP,
author = "Jack Simons",
title = "Semi-Classical Pictures of Non-Adiabatic Induced
Electron Ejection in Molecular Anions",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "283--316",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60465-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604657",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Micha:1999:DMT,
author = "David A. Micha",
title = "Density Matrix Treatment of Electronic Rearrangement",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "317--337",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60466-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604669",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Lunell:1999:TES,
author = "S. Lunell and J. W. Gauld and R. M. Kadam and Y.
Itagaki and A. Lund",
title = "Theoretical and Experimental Studies of the Benzene
Radical Cation: Effects of Selective Deuteration",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "339--355",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60467-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604670",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Cory:1999:TSF,
author = "Marshall G. Cory and Krassimir K. Stavrev and Michael
C. Zerner",
title = "A Theoretical Study of the
{(Fe$_2$($\mu-S_2$)(P(o-C$_6$H$_4$S)$_3$)$_2$)$^{2-}$}
Electronic Spectrum",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "357--369",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60468-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604682",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
}
@Article{Anonymous:1999:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "371--380",
year = "1999",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Dec 29 19:25:16 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "vii--viii",
year = "1999",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Sat Dec 30 06:02:17 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:Cc,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "vii--viii",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60450-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604505",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "iv--iv",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60449-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604499",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "??--??",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60447-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604475",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kurtz:1999:P,
author = "H. A. Kurtz and J. V. Ortiz and J. R. Sabin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "35",
pages = "ix--x",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60451-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604517",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Barbier:1999:HCH,
author = "C. Barbier and Gaston Berthier",
title = "Half {A} Century of Hybridization",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "1--25",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60476-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604761",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "Introduction: A Perennial Concept 2 \\
2. Theoretical Determination Methods of Hybrid Orbitals
5 \\
3. Conclusion: A Multiple-Purpose Instrument 17 \\
References 21",
}
@Article{Fliszar:1999:CVE,
author = "S{\'a}ndor Flisz{\'a}r and Edouard C. Vauthier and
Vincenzo Barone",
title = "Core and Valence Electrons in Atom-by-Atom
Descriptions of Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "27--44",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60477-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604773",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 28 \\
2. Working Formulas 30 \\
3. Results 31 \\
4. Conclusions and Prospects 39 \\
Glossary 42 \\
References 43",
}
@Article{Adamo:1999:CDF,
author = "Carlo Adamo and Andrea di Matteo and Vincenzo Barone",
title = "From Classical Density Functionals to Adiabatic
Connection Methods. the State of the Art",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "45--75",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60478-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604785",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 46 \\
2. Theoretical Background 47 \\
3. Applications 59 \\
4. Conclusion 71 \\
References 72",
}
@Article{Liu:1999:EED,
author = "Shubin Liu and Frank {De Proft} and {\'A}gnes Nagy and
Robert G. Parr",
title = "Exchange-Energy Density Functionals as Linear
Combinations of Homogeneous Functionals of Density",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "77--91",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60479-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604797",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Accent on third author family name is missing in
published book; it is present in \cite{Nagy:1997:DFT},
however.",
tableofcontents = "1. Introduction 78 \\
2. Theory: Exchange-Energy Density Functional 79 \\
3. Computational Methods 82 \\
4. Results and Discussion 83 \\
5. Summary 90 \\
References 90",
}
@Article{Marino:1999:DFC,
author = "T. Marino and N. Russo and E. Sicilia and M. Toscano
and T. Mineva",
title = "Density Functional Computations and Mass Spectrometric
Measurements. Can This Coupling Enlarge the Knowledge
of Gas-Phase Chemistry?",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "93--120",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60480-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604803",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 94 \\
2. Theoretical Background 94 \\
3. Results and Discussion 100 \\
4. Conclusions 116 \\
References 116",
}
@Article{Baraldi:1999:RDC,
author = "I. Baraldi and Fabio Momicchioli and G. Ponterini and
D. Vanossi",
title = "A Recent Development of the {CS} {INDO} Model:
Treatment of Solvent Effects on Structures and Optical
Properties of Organic Dyes",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "121--150",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60481-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604815",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 122 \\
2. Electrostatic Solvent Effects within the CS INDO
Scheme 125 \\
3. Results and Discussion 132 \\
4. Conclusions 146 \\
References 148",
}
@Article{Rastelli:1999:RDD,
author = "Augusto Rastelli and Remo Gandolfi and Mirko Sarzi
Amad{\`e}",
title = "Regioselectivity and Diastereoselectivity in the
1,3-Dipolar Cycloadditions of Nitrones with
Acrylonitrile and Maleonitrile: The Origin of
Endo\slash Exo Selectivity",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "151--167",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60482-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604827",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 151 \\
2. Experimental Results 153 \\
3. Computational Methods 154 \\
4. Transition Structures and Activation Parameters 155
\\
5. Solvent Effects 157 \\
6. Comparison with the Experimental Results 158 \\
7. Origin of Endo/Exo Selectivity: Analysis of TS
structures 159 \\
8. Origin of Endo/Exo Selectivity: Analysis of
Activation Barriers 162 \\
9. Conclusions 165 \\
References 166",
}
@Article{Morpurgo:1999:SMP,
author = "Simone Morpurgo and Mario Bossa and Giorgio O.
Morpurgo",
title = "Solvent-Mediated Proton Transfer Reactions in
Cytosine: An Ab Initio Study",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "169--183",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60483-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604839",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
remark = "Book table of contents erroneously has ``Abinitio''
instead of ``ab initio'', which is what the article
title has.",
tableofcontents = "1. Introduction 169 \\
2. Theoretical Methods 170 \\
3. Results and Discussion 171 \\
4. Conclusions 181 \\
References 181",
}
@Article{Kutzelnigg:1999:ECD,
author = "Werner Kutzelnigg and Pasquale von Herigonte",
title = "Electron Correlation at the Dawn of the $21^{\rm st}$
Century",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "185--229",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60484-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604840",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 186 \\
2. Electron Correlation in Very Small Atoms and
Molecules 187 \\
3. Many-Electron Methods in Terms of One-Electron Basis
Sets 190 \\
4. The Convergence with the Basis Size and the R12 \\
Method 199 \\
5. Localized Correlation Methods 202 \\
6. Density Functional Methods 205 \\
7. Conclusions 212 \\
References 215",
}
@Article{Li:1999:ACC,
author = "Xiangzhu Li and Ireneusz Grabowski and Karol Jankowski
and Josef Paldus",
title = "Approximate Coupled Cluster Methods: Combined Reduced
Multireference and Almost-Linear Coupled Cluster
Methods with Singles and Doubles",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "231--251",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60485-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion; Science
Citation Index database (1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604852",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 232 \\
2. Externally Corrected CCSD 234 \\
3. Almost-Linear (AL) CC Methods 236 \\
4. Results and Discussion 239 \\
5. Conclusions 246 \\
References 249",
}
@Article{Smeyers:1999:HPH,
author = "Yves G. Smeyers",
title = "The Half Projected {Hartree--Fock} Model for
Determining Singlet Excited States",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "253--270",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60486-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604864",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 254 \\
2. The HPHF Function for the Singlet Ground State 257
\\
3. The HPHF Equations for Excited States 262 \\
4. Applications 264 \\
5. Discussions and Conclusions 268 \\
References 269",
}
@Article{Angeli:1999:CTM,
author = "Celestino Angeli and Christian Rolando and Mich{\`e}le
Suard",
title = "Complexation of Transition Metal Cations ({Sc$^+$},
{Fe$^+$}, {Cu$^+$}) by One Cyanide Radical",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "271--282",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60487-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604876",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Monocoordinated Complexes as Molecular Models
and Chemical Species 272 \\
2. Quantum-Mechanical Predictions 273 \\
3. Final Remarks on the Complexation by the CN Ligand
280 \\
References 281",
}
@Article{Ferretti:1999:PMC,
author = "Alessandro Ferretti and Alessandro Lami and Giovanni
Villani",
title = "On the Photophysics of Molecules with Charge-Transfer
Excitations Between Aromatic Rings",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "283--300",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60488-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604888",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 284 \\
2. Biaryls and Related Molecules 285 \\
3. A Simple Vibronic Model 288 \\
4. The Time Evolution 294 \\
5. Concluding Remarks 298 \\
References 299",
}
@Article{DiDonato:1999:PAE,
author = "Mariangela {Di Donato} and Raffaele Borrelli and
Amedeo Capobianco and Guglielmo Monaco and Roberto
Improta and Meziane Brahimi and Andrea Peluso",
title = "Proton Assisted Electron Transfer",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "301--322",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60489-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860489X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 301 \\
2. Proton Assisted Electron Transfer 303 \\
3. The Driving Force for PA-ET 306 \\
4. Effect of a Peptide Bridge 307 \\
5. Dynamical Features of the PA-ET Mechanism 312 \\
6. Application to a Real System 315 \\
7. Conclusions 319 \\
8. Computational Details 319 \\
Bibliography 320",
}
@Article{Santoro:1999:LCS,
author = "Fabrizio Santoro and Carlo Petrongolo",
title = "{Lanczos} Calculation of the {$^2$A$_1$\slash
{\~A}$^2$ B$_2$} nonadiabatic {Franck--Condon}
absorption spectrum of {NO$_2$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "323--340",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60490-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604906",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 324 \\
2. Method 324 \\
3. Results 328 \\
4. Conclusions 338 \\
References 340",
xxtitle = "{Lanczos} Calculation of the {$\tilde{\rm X}^2{\rm
A}_1/\tilde{\rm A}^2{\rm B}_2$} Nonadiabatic
{Franck--Condon} Absorption Spectrum of {NO$_2$}",
}
@Article{Aquilanti:1999:HCC,
author = "Vincenzo Aquilanti and Gabriella Capecchi and
Simonetta Cavalli",
title = "Hyperspherical Coordinates for Chemical Reaction
Dynamics",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "341--363",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60491-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604918",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 342 \\
2. Separation of Radial and Angular Variables: Orbital
Angular Momentum 343 \\
3. Near Separability: Adiabatic and Diabatic
Representations 344 \\
4. Three-Body Problem: Orbital and Rotational Angular o
Momentum 347 \\
5. Hyperspherical Coordinates and Harmonics:
Hyperangular Momentum 350 \\
6. Hyperspherical Mapping of Potential Energy Surfaces:
Alternative Parametrization of Hyperangles 355 \\
7. Perspectives and Concluding Remarks 359 \\
References 360",
}
@Article{McWeeny:1999:EPR,
author = "Roy McWeeny",
title = "On the {Einstein--Podolsky--Rosen} Paradox",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "365--384",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60492-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion; Science Citation Index database
(1980--2000)",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860492X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
journalabr = "Advan Quantum Chem",
tableofcontents = "1. Introduction 366 \\
2. The System Density Matrix 368 \\
3. Reduced Density Matrices: Spin Correlation 370 \\
4. An Example: Density Functions for the Hydrogen
Molecule 373 \\
5. Dissociation of the Hydrogen Molecule 375 \\
6. The General Case 377 \\
7. Conclusion 381 \\
References 383",
}
@Article{Anonymous:1999:Ic,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "385--394",
year = "1999",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Sat Dec 30 06:03:49 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:BN,
author = "Anonymous",
title = "Biographic Notes",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "xix--xxii",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60475-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760860475X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Anonymous:1999:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "xi--xiv",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60473-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604736",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:CPc,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "iv--iv",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60472-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604724",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:1999:EBc,
author = "Anonymous",
title = "Editorial board",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "??--??",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60470-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604700",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lami:1999:P,
author = "Alessandro Lami and Vincenzo Barone",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "36",
pages = "xv--xvii",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60474-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608604748",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Adachi:2000:TAX,
author = "Hirohiko Adachi",
title = "Theoretical Analysis of {X}-Ray and Electron Spectra
by {DV-X$\alpha$} Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "1--29",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37002-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370022",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Uda:2000:EAS,
author = "Masayuki Uda",
title = "Extended Analysis of Satellite Structures in Particle
Induced {X}-Ray Emission Spectra Using Molecular
Orbital Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "31--55",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37003-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370034",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yokomizo:2000:XSC,
author = "Mitsutoshi Yokomizo and Tsutomu Kurisaki and Toshio
Yamaguchi and Hisanobu Wakita and Yoshio Oka-Inagaki
and Kazuchika Ohta",
title = "{XANES} Spectral Changes for Discotic Liquid Crystals
of Bis(1,2-bis(3,4-di\-octyl\-oxy\-phen\-yl)
Ethane\-di\-one Di\-oxi\-mato) {Ni(II)}",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "57--68",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37004-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370046",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ogasawara:2000:SEC,
author = "Kazuyoshi Ogasawara and Masateru Yamamoto and Takugo
Ishii and Hidenori Ida and Hirohiko Adachi and Isao
Tanaka",
title = "Separation of the Effects of Charge Transfer,
Covalency, and Electron Correlations on the Multiplet
Structure of Ruby Based on First-Principles Cluster
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "69--83",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37005-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370058",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ishii:2000:FPC,
author = "Takugo Ishii and Kazuyoshi Ogasawara and Yukiko Ito
and Isao Tanaka and Hirohiko Adachi",
title = "First-Principles Calculation for Multiplet Structure
of Emerald",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "85--96",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37006-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760037006X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ito:2000:EIT,
author = "Yukiko Ito and Isao Tanaka and Takugo Ishii and
Kazuyoshi Ogasawara and Hirohiko Adachi",
title = "The Effect of Intrinsic Trigonal Distortion on the
Multiplet Structures of Ruby and Emerald",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "97--110",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37007-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370071",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nakamatsu:2000:ACX,
author = "Hirohide Nakamatsu and Takeshi Mukoyama",
title = "Assignment of {Ce} {XANES} Spectra for {CeO$_2$} and
{CeO$_{1.75}$} and Effect of Oxygen Vacancy",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "111--125",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37008-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370083",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Shigemi:2000:CSC,
author = "Akio Shigemi and Hirohide Nakamatsu and Takeshi
Mukoyama and Shigero Ikeda",
title = "{CO} Shakeup Calculations with the {DV-X$\alpha$}
Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "127--137",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37009-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370095",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mukoyama:2000:KSK,
author = "Takeshi Mukoyama and Kazuo Taniguchi and Hirohiko
Adachi",
title = "{K$\beta$\slash K$\alpha$} {X}-Ray Intensity Ratios in
$3d$ Elements by Photoionization and Electron-Capture
Decay",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "139--151",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37010-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370101",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Matsuo:2000:SSB,
author = "Shuji Matsuo and Toshio Yamaguchi and Hisanobu
Wakita",
title = "A Structural Study of
Di\-bromo(1,4,8,11-tetra\-aza\-cyclo\-tetra\-dec\-ane)
Copper({II}) and
Di\-aqua(1,4,8,11-tetra\-aza\-cyclo\-tetra\-dec\-ane)
Copper({II}) Di\-fluoride Four Hydrate Complexes in
Crystal and in Aqueous Solution by {X}-Ray Absorption
Near Edge Structure Measurements and {DV-X$\alpha$}
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "153--162",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37011-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370113",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
xxpages = "152--161",
}
@Article{Morishita:2000:MIC,
author = "Masao Morishita and Koichiro Koyama and Tadayoshi
Kikko and Masahiko Morinaga and Hirohiko Adachi",
title = "A Method of Incorporating the Composition into the
Calculation of the {OKa} {X}-Ray Emission Spectrum of
the Glassy State {SiO$_2$--Na$_2$O} Binary Slag with
the {DV-X$\alpha$} Molecular Orbital Calculation",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "163--177",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37012-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370125",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Chang:2000:ESC,
author = "Myung Chul Chang and Soo-Chang Yu",
title = "The Electronic States in {Ca}-Doped {BaTiO$_3$}
Ceramics",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "179--191",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37013-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370137",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yukawa:2000:CES,
author = "Hiroshi Yukawa and Masahiko Morinaga",
title = "Characteristics of Electronic Structures in Hydrogen
Storage Alloys",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "193--212",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37014-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370149",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tanaka:2000:ADX,
author = "Isao Tanaka",
title = "Application of {DV-X$\alpha$} Calculations in Ceramics
Science",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "213--227",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37015-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370150",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fujimoto:2000:PCW,
author = "Yasunari Fujimoto and Masayuki Uda",
title = "Prediction of Change in the Work Functions Due to
Stacking Faults in {Mg}, {Ti}, {Co}, {Cu}, and {Zn}",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "229--235",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37016-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370162",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sekine:2000:ACB,
author = "Rika Sekine and Kumiko Tanaka and Jun Onoe and Kazuo
Takeuchi and Hirohide Nakamatsu",
title = "Analysis of chemical bond in metal clusters: {I}.
{Alkali} metal and alkaline earth metals",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "237--254",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37017-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370174",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fukushima:2000:ESC,
author = "Kimichika Fukushima",
title = "Electronic Structure Calculations to Determine the
Effects of Impurities on Ceramic Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "255--270",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37018-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370186",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kowada:2000:ECM,
author = "Yoshiyuki Kowada and D. E. Ellis",
title = "Embedded Cluster Models for Electronic States of
Silicate Glasses",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "271--290",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37019-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370198",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Chang:2000:EST,
author = "Hyunju Chang and Jae Do Lee",
title = "Electronic Structure of {Ti$_4$O$_7$} Using
{DV-X$\alpha$} Cluster Calculation Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "291--300",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37020-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370204",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kawasaki:2000:ESG,
author = "Shinji Kawasaki and Fujio Okino and Hidekazu Touhara
and Ning Liu and Toyohisa Nakajima",
title = "The electronic structures of graphite and fullerene,
and their compounds",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "301--309",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37021-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370216",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Onoe:2000:AND,
author = "Jun Onoe",
title = "Atomic-Number Dependence of Relativistic Effects on
Chemical Bonding",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "311--323",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37022-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370228",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hirata:2000:RDF,
author = "Masaru Hirata and Turgut Bastug and Shoichi Tachimori
and Rika Sekine and Jun Onoe and Hirohide Nakamatsu",
title = "Relativistic Density Functional Calculations for
Potential Energy Curves of Uranyl Nitrate Hydrate",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "325--333",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37023-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760037023X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hirata:2000:ESC,
author = "Masaru Hirata and Shoichi Tachimori and Rika Sekine
and Jun Onoe and Hirohide Nakamatsu",
title = "Electronic Structures and Chemical Bonding of Actinyl
Nitrates Dihydrates",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "335--351",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37024-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370241",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
xxpages = "334--350",
}
@Article{Bastug:2000:MDS,
author = "Turgut Bastug and Masaru Hirata and Sven Varga and
Burkhard Fricke and Sakir Erko{\c{c}} and Takeshi
Mukoyama",
title = "Molecular-Dynamics Simulations of Gold Clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "353--364",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37025-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370253",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nakagawa:2000:BIE,
author = "Katsumi Nakagawa",
title = "Bond Index and Energy Partition Method for
{DV-X$\alpha$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "365--374",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37026-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370265",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tanaka:2000:RAO,
author = "Kumiko Tanaka and Rika Sekine and Jun Onoe and
Hirohide Nakamatsu",
title = "On Role of the $3d$ Atomic Orbital in the Chemical
Bonding of Sulfur Fluorides",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "375--383",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37027-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370277",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2000:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "385--393",
year = "2000",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Sat Dec 30 06:20:23 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCR scan conversion",
acknowledgement = ack-nhfb,
}
@Article{Adachi:2000:P,
author = "H. Adachi and M. Uda and R. Sekine",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "xv--xvi",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37001-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370010",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2000:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "37",
pages = "xi--xiii",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)37000-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600370009",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Carbo-Dorca:2000:EDF,
author = "Ramon Carb{\'o}-Dorca and Emili Besal{\'u} and Xavier
Giron{\'e}s",
title = "Extended Density Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "1--63",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38002-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380029",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 3 \\
2. Density Functions as Object Tags 5 \\
3. Differential Operators and Kinetic Energy 10 \\
4. Extended Density Functions 19 \\
5. Visual Examples of DF 23 \\
6. Alternative Diagonal Representation of Extended
Wavefunctions 38 \\
7. Conclusions 38 \\
Appendix A. Definitions Leading to Quantum Similarity
Measures 48 \\
Appendix B. Algorithms and Generating Rules 51 \\
Appendix C. Algebra of Diagonal Vector Spaces 52 \\
Appendix D. Inward Matrix Product 52 \\
Appendix E. DF Surfaces Visualisation Details 54 \\
References 55",
}
@Article{Brand:2000:TET,
author = "Joachim Brand and Lorenz S. Cederbaum",
title = "Theory of Extended Two-Particle {Green}'s Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "65--120",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38003-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380030",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 67 \\
2. Basic Formalism 70 \\
3. Effective Two-Particle Description with Orthonormal
States 78 \\
4. Formal Properties of the Extended Propagators 84 \\
5. Properties of the Self Energy 94 \\
6. Static Scattering Potentials 104 \\
7. Conclusions 114 \\
Appendix A. Formal Definitions of the Hilbert Space
${\sf Y}$ 116 \\
Appendix B. Static Particle-Particle Self Energy for
Electrons 117 \\
Appendix C. Static Particle-Hole Self Energy for
Electrons 119 \\
References 119",
}
@Article{Ramasesha:2000:DMR,
author = "S. Ramasesha and Swapan K. Pati and Z. Shuai and J. L.
Br{\'e}das",
title = "The Density Matrix Renormalization Group Method:
Application to the Low-lying Electronic States in
Conjugated Polymers",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "121--215",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38004-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380042",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 123 \\
2. Model Many-Body Hamiltonians for $p$ Conjugated
Systems 125 \\
3. Methods for Solving Model Many-Body Hamiltonians 133
\\
4. DMRG Method 137 \\
5. Symmetrized DMRG for the Exited States 150 \\
6. Dynamical Nonlinear Optical Coefficients from the
SDMRG Method 158 \\
7. SDMRG Studies of Conjugated Polymers 169 \\
8. Concluding Remark 201 \\
References 203",
}
@Article{Nalewajski:2000:CCI,
author = "Roman F. Nalewajski",
title = "Coupling Constant Integration Analysis of Density
Functionals for Subsystems",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "217--277",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38005-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380054",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 219 \\
2. Subsystems and Nonadditive Functionals 221 \\
3. Scaled Hamiltonians 238 \\
4. Coupling Constant Integrations 248 \\
5. Conclusion 266 \\
6. Appendix: Exchange-Correlation Holes in the
Subsystem Resolution 268 \\
7. References 274",
}
@Article{Anonymous:2000:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "279--287",
year = "2000",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Dec 28 12:07:29 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC Contents1st database; OCR scan conversion",
acknowledgement = ack-nhfb,
keywords = "Quantum chemistry",
}
@Article{Anonymous:2000:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "vii--vii",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38000-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380005",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sabin:2000:MCZ,
author = "John R. Sabin",
title = "Obituary --- {Michael Charles Zerner}",
journal = j-ADV-QUANTUM-CHEM,
volume = "38",
pages = "viii--ix",
year = "2000",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(00)38001-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Contents1st database; OCR scan conversion",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327600380017",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
keywords = "Quantum chemistry",
}
@Article{Dahl:2001:DMP,
author = "Jens Peder Dahl",
title = "Density Matrices and Phase-Space Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "1--18",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39001-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390010",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 2 \\
2. The One-Particle Density Matrix 3 \\
3. {Dirac}'s Phase-Space Function 5 \\
4. The {Weyl--Wigner} Representation 6 \\
5. The Harmonic Oscillator 10 \\
6. The Free-Electron Gas 12 \\
7. Atoms in Phase Space 14 \\
8. Conclusions 15 \\
References 16",
}
@Article{Ladik:2001:CCH,
author = "Janos Ladik and Ferenc Bogar and Vick {Van Doren}",
title = "Correlation Corrected {Hartree--Fock} and Density
Functional Computations on Periodic Polymers",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "19--34",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39002-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390022",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 20 \\
2 Methods 21 \\
3 Results and Their Discussion 24 \\
4 Conclusion 30 \\
References 30",
}
@Article{Nagy:2001:EPS,
author = "{\'A}. Nagy",
title = "Effective Potential of a Single Excited State along
the Adiabatic Path",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "35--46",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39003-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390034",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 35 \\
2. Theory for a Single Excited State 36 \\
3. Pauli Potential for an Excited State 38 \\
4. Construction of the Potential $V^\alpha_i$ 40 \\
5. Discussion 42 \\
References 45",
}
@Article{Yotov:2001:GCK,
author = "P. Tz. Yotov and F. E. Zakhariev and Ya. I. Delchev
and J. Maruani",
title = "Gradient Corrections to the Kinetic-Energy Density
Functional Stemming from a Regular Two-Component
Relativistic {Hamiltonian}",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "47--55",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39004-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390046",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 47 \\
2. Regular Two-Component Relativistic {Hamiltonian} 49
\\
3. Derivation of Gradient Corrections to the
Kinetic-Energy Density Functional 51 \\
4. Conclusion 54 \\
References 55",
}
@Article{Zapol:2001:ARC,
author = "Boris P. Zapol",
title = "An attempt to realise the constrained search approach
in the density functional theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "57--70",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39005-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390058",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 58 \\
2 Reformulation of the Reconstruction Problem 62 \\
3 Properties of Electron Densities and Their Fourier
Images 64 \\
4 Conclusions 68 \\
References 69",
}
@Article{Aquilanti:2001:SEQ,
author = "Vincenzo Aquilanti and John Avery",
title = "{Sturmian} Expansions for Quantum Mechanical Many-Body
Problems and Hyperspherical Harmonics",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "71--102",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39006-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760539006X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 72 \\
2. Potential-Weighted Orthonormality Relations 73 \\
3. Generalized {Sturmian} Expansion of a Plane Wave 74
\\
4. $d$-Dimensional Coulomb {Sturmian}s 74 \\
5. The Generalized {Sturmian} Secular Equation 77 \\
6. An Alternative Generalized {Sturmian} Basis Set 78
\\
7. The Many-Center One-Electron Problem and the
Many-Center Many-Electron Problem 83 \\
8. Representation in Terms of Hyperspherical Harmonics
87 \\
9. Alternative Hyperspherical Harmonics: The Method of
Trees 89 \\
10. Final Remarks and Conclusions 91 \\
References 101",
}
@Article{Aquilanti:2001:ARH,
author = "Vincenzo Aquilanti and Simonetta Cavalli and Dario {De
Fazio} and Alessandro Volpi",
title = "The {A + BC} Reaction by the Hyperquantization
Algorithm: The Symmetric Hyperspherical Parametrization
for {$J > 0$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "103--121",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39007-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390071",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 104 \\
2. Hyperspherical Coordinates for a Three-Particle
System 106 \\
3. The Hyperspherical Method 109 \\
4. The Hyperquantization Algorithm 112 \\
5. Conclusions and Further Remarks: Toward Four-Atom
Reactions 117 \\
References 118",
}
@Article{Glushkov:2001:DGB,
author = "V. N. Glushkov and S. Wilson",
title = "Distributed {Gaussian} Basis Sets: Variationally
Optimized $s$-Type Sets",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "123--143",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39008-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390083",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 123 \\
2. Variationally Optimized s-type {Gaussian} Basis Sets
for {H$_2^+$} Ground State 126 \\
3. Discussion and Conclusions 141 \\
References 142",
}
@Article{Martin:2001:SRS,
author = "I. Mart{\'\i}n and A. M. Velasco and C. Lav{\'\i}n",
title = "Similarities in the {Rydberg} Spectra of the Isovalent
Radicals {CH$_3$} and {SiH$_3$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "145--162",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39009-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390095",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 146 \\
2. Molecular {Rydberg} States 147 \\
3. Selections Rules for {Rydberg} Transitions 148 \\
4. Objectives of the Present Work 148 \\
5. Method of Calculation 150 \\
6. Energy Values and Quantum Defects 152 \\
7. Transition Intensities 155 \\
8. Concluding Remarks 161 \\
References 161",
}
@Article{Tergiman:2001:TSC,
author = "Y. S. Tergiman and M. C. Bacchus-Montabonnel",
title = "Theoretical study of charge transfer mechanism in
{N$^{4+}$ $+$ He} collisions at {keV} energies",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "163--170",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39010-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390101",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 163 \\
2. Molecular Calculations 164 \\
3. Collision Dynamics 167 \\
References 170",
}
@Article{Landau:2001:IHF,
author = "Arie Landau and Ephraim Eliav and Uzi Kaldor",
title = "Intermediate {Hamiltonian} {Fock}-Space
Coupled-Cluster Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "171--188",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39011-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390113",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 172 \\
2. Method 175 \\
3. Applications 182 \\
4. Summary and Conclusion 183 \\
Appendix {A} 184 \\
Appendix {B} 185 \\
References 185",
}
@Article{Bendazzoli:2001:FCS,
author = "Gian Luigi Bendazzoli and Stefano Evangelisti",
title = "Full {CI} Solution of Perturbative Equations",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "189--207",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39012-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390125",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 190 \\
2. Methods of Solution 191 \\
3. Applications to {LiH} 194 \\
4. Conclusions 200 \\
Appendix 201 \\
References 206",
}
@Article{Hubac:2001:GBW,
author = "I. Hubac and S. Wilson",
title = "On the Generalized {Brillouin--Wigner} Perturbation
Theory and the Many-Body Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "209--223",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39013-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390137",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 210 \\
2. Generalized Brillouin--Wigner Perturbation Theory
211 \\
3. Many-Body Corrections to Finite-Order Generalized
Brillouin--Wigner Perturbation Theory 216 \\
4. Generalized Brillouin--Wigner Coupled Cluster Theory
217 \\
5. Summary and Prospects 219 \\
References 219",
}
@Article{Hubac:2001:MBW,
author = "I. Huba{\v{c}} and P. Mach and S. Wilson",
title = "Multireference {Brillouin--Wigner} Methods for
Many-Body Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "225--240",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39014-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390149",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 226 \\
2. Some Historical Background 227 \\
3. Rayleigh--Schr{\"o}dinger Perturbation Theory and
the Intruder-State Problem 234 \\
4. Recent Progress in Brillouin--Wigner Methods for the
Many-Body Problem 236 \\
5. Summary and Prospects 237 \\
References 238",
}
@Article{Quiney:2001:DEA,
author = "H. M. Quiney and V. N. Glushkov and S. Wilson",
title = "The {Dirac} Equation in the Algebraic Approximation.
{VII}. {A} Comparison of Molecular Finite Difference
and Finite Basis Set Calculations Using Distributed
{Gaussian} Basis Sets",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "241--259",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39015-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390150",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 242 \\
2. The Molecular {Dirac} Equation in the Algebraic
Approximation for Distributed {Gaussian} Basis Sets of
$s$-Type Functions 245 \\
3. Distributed $s$-Type {Gaussian} Basis Sets for
{H$_2^+$} Ground State 248 \\
4. Matrix {Dirac} Energy for the {H$_2^+$} Molecular
Ion 254 \\
5. Discussion and Conclusions 255 \\
References 256",
}
@Article{Vilkas:2001:RMM,
author = "Marius Jonas Vilkas and Yasuyuki Ishikawa",
title = "Relativistic Multireference {M{\o}ller--Plesset}
Perturbation Theory Calculations for the Term Energies
and Transition Probabilities of Ions in the Nitrogen
Isoelectronic Sequence",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "261--293",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39016-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390162",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 262 \\
2. Theory 263 \\
3. Computational 272 \\
4. Results and Discussion 274 \\
References 291",
}
@Article{Pavlov:2001:RDM,
author = "R. L. Pavlov and A. I. Kuleff and P. Tz. Yotov and J.
Maruani",
title = "Reduced Density-Matrix Treatment of Spin-Spin
Interaction Terms in Many-Electron Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "295--305",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39017-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390174",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 295 \\
2. Spin Distribution and Correlation Densities 296 \\
3. Spin-Spin Interactions 298 \\
4. Discussion 303 \\
References 304",
}
@Article{Maruani:2001:MCT,
author = "J. Maruani and A. Khoudir and A. Kuleff and M. Tronc
and G. Giorgi and C. Bonnelle",
title = "A method of combined treatment for the evaluation of
core excitation energies in molecules involving heavy
atoms: application to {CrF$_6$}, {MoF$_6$}, and
{WF$_6$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "307--324",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39018-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390186",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 308 \\
2. Methodology and Calculations 309 \\
3. Results and Discussion 313 \\
4. Conclusion 322 \\
References 323",
}
@Article{Liu:2001:SCP,
author = "Wenjian Liu and Christoph van W{\"u}llen and Young Kyu
Han and Yoon Jeong Choi and Yoon Sup Lee",
title = "Spectroscopic Constants of {Pb} and Eka-Lead
Compounds: Comparison of Different Approaches",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "325--355",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39019-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390198",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 327 \\
2. Computational Details 328 \\
3. Atomic Calculations 331 \\
4. Molecular Calculations 334 \\
5. Conclusions 350 \\
References 351",
}
@Article{Leon:2001:FSO,
author = "V. M. Le{\'o}n and M. Mart{\'\i}n and L. Sandoval and
A. Palma",
title = "{Floquet} States and Operator Algebra",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "357--366",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39020-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390204",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 358 \\
2. Harmonic Oscillator 358 \\
3. Parabolic Barrier 361 \\
4. Conclusions 364 \\
Appendix 364 \\
References 366",
}
@Article{Anonymous:2001:Ia,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "367--381",
year = "2001",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Feb 21 16:40:34 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC Article1st database",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:2001:CVa,
author = "Anonymous",
title = "Contributors volume 39",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xi--xiii",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39021-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390216",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:CVc,
author = "Anonymous",
title = "Contributors volume 39",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xxi--xxiii",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39023-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760539023X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:CVh,
author = "Anonymous",
title = "Contents volume 40",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xv--xx",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39022-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390228",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:P,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xxv--xxvi",
year = "2001",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Fri Feb 22 17:51:55 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:2001:WPc,
author = "Anonymous",
title = "Workshop Participants",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xxvii--xxxi",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39025-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390253",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2001:Pa,
author = "E. Br{\"a}ndas and O. Goscinski",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "39",
pages = "xxv--xxvi",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)39024-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605390241",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{McWeeny:2001:SS,
author = "Roy McWeeny",
title = "Symbols in Science",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "1--16",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40006-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400062",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sutcliffe:2001:SMP,
author = "Brian Sutcliffe",
title = "Some Mathematical Problems in the Description of
Dissociating Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "17--36",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40007-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400074",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 18 \\
2. Removing Translational Motion 19 \\
3. Conclusions 35 \\
References 36",
}
@Article{Cooper:2001:RAS,
author = "David L. Cooper and Nick J. Clarke and Phillip C.
Stancil and Bernard Zygelman",
title = "Recent Applications of Spin-Coupled Valence Bond
Theory to Charge Transfer Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "37--48",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40008-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400086",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 28 \\
2. The Spin-Coupled Valence Bond ({SCVB}) Approach 39
\\
3. Scattering Calculations 40 \\
4. {SCVB} Results for the {N$_2^+$}/{He} System 41 \\
5. Target Isotope Effects 45 \\
6. Final Remarks 46 \\
References 46",
}
@Article{Kozmutza:2001:IPT,
author = "C. Kozmutza and E. Tfirst and I. G. Csizmadia",
title = "Ab Initio Program for Treatment of Related Systems:
Transferable Quantities of Localized Molecular
Orbitals",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "49--77",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40009-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400098",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 50 \\
2. Localization of Molecular Orbitals 50 \\
3. Electric Moments for {LMO} Densities 57 \\
4. One-Electron Energy Terms Calculated at the {HF}
Level 66 \\
5. Use of Electric Moments of Localized Orbitals 69 \\
References 75",
}
@Article{Kryachko:2001:TST,
author = "Eugene S. Kryachko and Minh Tho Nguyen",
title = "Thiouracils: Structures, Tautomerism, Interaction with
Water, and Functioning in {RNA} and Modified {DNA} Base
Pairs",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "79--102",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40010-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400104",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 81 \\
2. Computational Methodology 82 \\
3. Structure of Thiouracils and Their Lower-Energy
Tautomers 83 \\
4. Adiabatic Protonation and Deprotonation of
Thiouracils 87 \\
5. Hydrogenation of Thiouracils 87 \\
6. Interaction of Thiouracils and Their Tautomers with
Water 88 \\
7. Tautomerism and Double Proton Transfer Mediated by
Water 90 \\
8. Thiobase Pairs 92 \\
9. Adenine-Uracil and Adenine-Thiouracil Base Pairing
94 \\
10. Summary and Outlook 98 \\
References 99",
}
@Article{Tapia:2001:TRB,
author = "O. Tapia",
title = "Towards a Rigged {Born--Oppenheimer} Electronic Theory
of Chemical Processes",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "103--131",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40011-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400116",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 105 \\
2. Electro-Nuclear Separation Theory 106 \\
3. Chemical Change as Electronic Spectroscopy Processes
114 \\
4. Discussion 125 \\
References 130",
}
@Article{Suter:2001:WHO,
author = "H. U. Suter and B. Engels and S. Lunell",
title = "Was {H$_2$}$^-$ observed in solid {H$_2$}? {A}
theoretical answer",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "133--142",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40012-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
note = "See comment \cite{Miyazaki:2003:CER}.",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400128",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 134 \\
2 Methods of Calculation 135 \\
3 Results 138 \\
4 Summary and Conclusions 139 \\
References 141",
}
@Article{Apostolova:2001:PMP,
author = "Elena S. Apostolova",
title = "{$D$}-Parameter of the {Morse} Potential as a New Bond
Index for Estimating Bond Breaking Energy in a
Molecule",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "143--159",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40013-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760140013X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 144 \\
2. Model {Hamiltonian} 148 \\
3. Bond Energy and Overtone Spectra of {CH$_3$F} and
{CH$_3$Cl} 150 \\
4. Discussion 155 \\
5. Conclusions 156 \\
References 157",
}
@Article{Girard:2001:EHS,
author = "Y. Girard and P. Chaquin",
title = "Effects of halogen substituents on the conformations
of vinyl alcohol and vinyl thiol: a theoretical study",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "161--177",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40014-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400141",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 162 \\
2. Methodology 162 \\
3. Results 163 \\
4. Discussion 169 \\
5. Conclusion 176 \\
References 176",
}
@Article{PerezdelValle:2001:LEE,
author = "C. {Perez del Valle} and R. Lefebvre and O. Atabek",
title = "Localization of Energy Exchanges in Field-Assisted
Double-Barrier Resonant Tunneling",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "179--190",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40015-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400153",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 180 \\
2. {Gordon-Volkov} Wavefunctions for Field-Assisted
Resonant Tunneling 182 \\
3. Localization of Energy Exchanges 183 \\
4. Energy Exchanges in Resonant Tunneling 185 \\
References 189",
}
@Article{Minaev:2001:SUC,
author = "Boris F. Minaev and Hans {\AA}gren",
title = "Spin Uncoupling in Chemical Reactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "191--211",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40016-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400165",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 192 \\
2. General Discussion of Spin-Uncoupling in Chemical
Reactions 193 \\
3. Methane Activation by Second-Row Transition-Metal
Atoms 197 \\
4. Hydrocarbon Activation by Transition-Metal Complexes
205 \\
5. Conclusions 207 \\
References 209",
}
@Article{Cronstrand:2001:ACI,
author = "Peter Cronstrand and Hans {\AA}gren",
title = "Assignment and Convergence of {IR} Spectra for a
Sequence of Polypyridine Oligomers",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "213--223",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40017-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400177",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 214 \\
2. Computational Details 214 \\
3. Results 216 \\
4. Discussion 221 \\
References 223",
}
@Article{Dunne:2001:WBC,
author = "L. J. Dunne and E. J. Br{\"a}ndas",
title = "{$D$}-Wave Bipolaronic Condensate with Short Range
Repulsive Electronic Correlations in an Extended
{Hubbard} Model of High-{T$_c$} Cuprate
Superconductors",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "225--247",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40018-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400189",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 226 \\
2. The Pair Condensate Wavefunction 226 \\
3. Group Theoretical Analysis 229 \\
4. Energy Considerations 232 \\
5. Thermal Behaviour of Superconducting Cuprates 238
\\
6. Temperature and Doping Dependence 241 \\
7. Condensation Energy and Heat Capacity 243 \\
8. Summary and Conclusion 245 \\
References 246",
}
@Article{Srivastava:2001:OVR,
author = "Vipin Srivastava",
title = "Orthogonalization of Vectors and Its Relation to
Cognitive Phenomena",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "249--255",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40019-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400190",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 249 \\
2. Orthogonalization Methods 250 \\
3. A Geometrical View 251 \\
4. Neural Network Model for Memory 253 \\
References 255",
}
@Article{Kaplan:2001:BCC,
author = "I. G. Kaplan and Szczepan Roszak and Jerzy
Leszczynskin",
title = "Binding in Clusters with Closed-Subshell Atoms
(Alkaline-Earth Elements)",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "257--278",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40020-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400207",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 258 \\
2. Calculation Scheme and Its Check 261 \\
3. Discussion 263 \\
References 275",
}
@Article{Kuleff:2001:RMC,
author = "A. I. Kuleff and J. Maruani and P. P. Raychev",
title = "Reproduction of Metal-Cluster Magic Numbers Using a
$q$-Deformed, $3$-Dimensional, Harmonic Oscillator
Model",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "279--304",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40021-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400219",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 280 \\
2. {A} Short Overview of $q$-Deformed Algebras and Some
Simple Applications 281 \\
3. The $q$-Deformed, $3$-Dimensional Harmonic
Oscillator ({Q$_{30}$}) 288 \\
4. Energy Expression for the Metal Cluster 297 \\
5. Results and Discussion 298 \\
References 302",
}
@Article{Saalmann:2001:RDM,
author = "Ulf Saalmann",
title = "Reaction Dynamics of Metallic Clusters Colliding with
Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "305--322",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40022-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400220",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 306 \\
2. Non-Adiabatic Quantum Molecular Dynamics 306 \\
3. Excitation and Relaxation 310 \\
4. Charge Transfer Versus Fragmentation 314 \\
5. Summary 320 \\
References 321",
}
@Article{Alferova:2001:FET,
author = "T. Alferova and S. Andersson and N. Elander and S.
Levin and E. Yarevsky",
title = "Finite-Element Three-Body Studies of Bound and
Resonant States in Atoms and Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "323--344",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40023-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400232",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 324 \\
2. Theory 326 \\
3. Numerical Realization 332 \\
4. Three Applications 335 \\
5. Conclusions 340 \\
References 341",
}
@Article{Moule:2001:CSR,
author = "D. C. Moule and W. Fraessdorf and C. Mu{\~n}oz-Caro
and A. Ni{\~n}o",
title = "A computer simulation of the ring puckering and oxygen
wagging dynamics in the {S$_0$} state of
cyclobutanone",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "345--359",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40024-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400244",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 346 \\
2. Methods 347 \\
3. Calculations 350 \\
4. Results and Discussion 351 \\
5. Improvements to the Potential Energy 356 \\
6. Conclusions 357 \\
References 358",
}
@Article{Ivanov:2001:FDC,
author = "Mikhail V. Ivanov and Peter Schmelcher",
title = "Finite-Difference Calculations for Atoms and Diatomic
Molecules in Strong Magnetic and Static Electric
Fields",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "361--379",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40025-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC Article1st database",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400256",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
tableofcontents = "1. Introduction 362 \\
2. Two-Dimensional Mesh {Hartree--Fock} Method 364 \\
3. The Structure of the Atomic Ground State
Configurations for the Limit $\gamma \rightarrow
\infty$ 366 \\
4. Ground State Electronic Configurations of Atoms and
Positive Ions at Arbitrary Field Strengths 367 \\
5. Ground State Electronic Configurations in the
High-Field Regime 371 \\
6. Mesh Approach for Single-Electron Atomic and
Molecular Systems in Strong Electric Fields 374 \\
7. Conclusions 377 \\
References 378",
}
@Article{Anonymous:2001:Ib,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "381--395",
year = "2001",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Feb 21 16:40:34 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC Article1st database",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:2001:CVb,
author = "Anonymous",
title = "Contents volume 39",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xv--xx",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40002-5",
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ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400025",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:CVd,
author = "Anonymous",
title = "Contributors Volume 40",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xi--xiii",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40001-3",
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ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400013",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:CVe,
author = "Anonymous",
title = "Contents Volume 39",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xv--xx",
year = "2001",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Feb 21 16:40:34 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:2001:CVf,
author = "Anonymous",
title = "Contributors Volume 39",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xxi--xxiii",
year = "2001",
CODEN = "AQCHA9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Feb 21 16:40:34 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:2001:CVg,
author = "Anonymous",
title = "Contributors volume 40",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xxi--xxv",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40003-7",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400037",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "ii--iii",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40000-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400001",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2001:WPd,
author = "Anonymous",
title = "Workshop Participants",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xxvii--xxxi",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40005-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400050",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2001:Pb,
author = "E. Br{\"a}ndas and O. Goscinski",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "40",
pages = "xxv--xxvi",
year = "2001",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(01)40004-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327601400049",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Karlsson:2002:SEI,
author = "G{\"o}ran Karlsson",
title = "The scientific, educational and internationalization
influence of {Per-Olov L{\"o}wdin}",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "1--8",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41043-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760241043X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Larsson:2002:PTE,
author = "Sven Larsson",
title = "Partitioning technique in electron transfer and
excitation energy transfer",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "9--33",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41044-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410441",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ohrn:2002:DDM,
author = "Yngve {\"O}hrn",
title = "Density, density matrix, or propagator",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "35--49",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41045-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410453",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Goscinski:2002:CEP,
author = "Osvaldo Goscinski",
title = "Conjugate eigenvalue problems and generalized
{Sturmians}",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "51--56",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41046-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410465",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Goscinski:2002:APR,
author = "Osvaldo Goscinski",
title = "Appendix. Preliminary research report $217$ (1968)",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "57--85",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41047-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410477",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Linderberg:2002:APR,
author = "Jan Linderberg",
title = "Approximate propagator for the radial {Dirac}
problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "87--106",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41048-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410489",
abstract = "Two coupled first order differential equations derived
for the atomic central field problem within the
relativistic framework are transformed to integral
equations through the use of approximate
Wentzel--Kramers--Brillouin solutions. It is shown that
a finite charge density can be derived for a
relativistic form of the Fermi--Thomas atomic model by
appropriate attention to the boundary conditions. A
numerical solution for the effective nuclear charge in
the Xenon atom is calculated and fitted to a rational
expression.",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Berrondo:2002:LDC,
author = "M. Berrondo",
title = "Learning differential calculus without limits",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "107--120",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41049-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410490",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2002:DSM,
author = "Erkki J. Br{\"a}ndas",
title = "Dissipative systems and microscopic selforganization",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "121--138",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41050-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410507",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Micha:2002:FAM,
author = "David A. Micha",
title = "From few-atom to many-atom quantum dynamics",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "139--159",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41051-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410519",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Canuto:2002:NDM,
author = "Sylvio Canuto and Kaline Coutinho and Daniel
Trzesniak",
title = "New developments in {Monte Carlo}\slash quantum
mechanics methodology. The solvatochromism of
$\beta$-carotene in different solvents",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "161--183",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41052-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410520",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Froelich:2002:QCA,
author = "Piotr Froelich",
title = "Quantum chemistry of antimatter",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "185--202",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41053-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410532",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Persson:2002:QCS,
author = "P. Persson and R. Bergstr{\"o}m and L. Ojam{\"a}e and
S. Lunell",
title = "Quantum-chemical studies of metal oxides for
photoelectrochemical applications",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "203--263",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41054-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410544",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2002:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "ix--ix",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41041-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410416",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Linderberg:2002:AQC,
author = "Jan Linderberg and Yngve {\"O}hrn and John R. Sabin",
title = "Advancing quantum chemistry: {Per-Olov L{\"o}wdin}
1916--2000",
journal = j-ADV-QUANTUM-CHEM,
volume = "41",
pages = "x--xv",
year = "2002",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(02)41042-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327602410428",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Adachi:2003:MET,
author = "Hirohiko Adachi and Kazuyoshi Ogasawara",
title = "Many-electron theory for electronic transition process
--- Its importance in materials science",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "1--22",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42038-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420388",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sakuma:2003:GBP,
author = "Taketo Sakuma",
title = "Grain boundary plasticity and failure in oxide
ceramics at high temperatures",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "23--33",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42039-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760342039X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ellis:2003:TSF,
author = "D. E. Ellis and O. Warschkow",
title = "Toward structure-function relations - {A} hybrid
quantum/classical approach",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "35--66",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42040-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420406",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ishii:2003:MEC,
author = "Takugo Ishii and Kazuyoshi Ogasawara and Hirohiko
Adachi",
title = "Many-electron calculation for the analysis of optical
absorption spectra in {Cr$^{4+}$}-doped solid-state
laser crystals",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "67--76",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42041-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420418",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sob:2003:TCP,
author = "M. Sob and H. Sormann and J. Kuriplach",
title = "Theoretical calculations of positron annihilation
characteristics in inorganic solids - Recent advances
and problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "77--108",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42042-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760342042X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mizuno:2003:TCP,
author = "Masataka Mizuno and Hideki Araki and Yasuharu Shirai",
title = "Theoretical calculation of positron lifetimes for
defects in solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "109--126",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42043-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420431",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Alatalo:2003:RAC,
author = "M. Alatalo and M. J. Puska",
title = "Recent advances in the calculations for momentum
distributions of annihilating electron-positron pairs
in solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "127--143",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42044-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420443",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Koyama:2003:ESE,
author = "Yukinori Koyama and Isao Tanaka and Hirohiko Adachi",
title = "Electronic structures and electrode potentials of
layered lithium insertion electrodes by the first
principles calculation",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "145--161",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42045-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420455",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Chang:2003:ESC,
author = "Jyunju Chang and Youngmin Choi and Jae Do Lee",
title = "Electronic structure of chromium aluminum oxide",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "163--173",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42046-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420467",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Oba:2003:ESA,
author = "Fumiyasu Oba and Isao Tanaka and Hirohiko Adachi",
title = "Electronic states associated with bond disorder at
{ZnO} grain boundaries",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "175--186",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42047-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420479",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nanba:2003:CBS,
author = "Tokuro Nanba and Tatsuya Hagiwara and Yoshinari
Miura",
title = "Chemical bonding state of sodium silicates",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "187--198",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42048-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420480",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yamamoto:2003:FPC,
author = "Tomoyuki Yamamoto",
title = "First principles calculations of pressure-induced
structural phase transition of Co",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "199--207",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42049-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420492",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Itoh:2003:ESD,
author = "Shinichi Itoh",
title = "Electronic structure of {Er} doped {GaAs}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "209--214",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42050-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420509",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nakatsugawa:2003:ESS,
author = "H. Nakatsugawa and E. Iguchi and Y. Oohara",
title = "Electronic structures of {Sr$_{1 - x}$La$_x$RuO$_3$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "215--222",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42051-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420510",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fukushima:2003:DXC,
author = "Kimichika Fukushima",
title = "{DV--X$\alpha$} cluster calculations of spin-states in
hydrogen and {Cu} oxide clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "223--238",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42052-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420522",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Takai:2003:NPB,
author = "K. Takai and M. Seike and K. Tanaka and Y. Hayafuji",
title = "New pseudo-binary titanium silicide systems for
lowering phase transformation temperature",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "239--261",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42053-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420534",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yukawa:2003:LES,
author = "Hiroshi Yukawa and Shigeyuki Ito and Daisuke Yamashita
and Masahiko Morinaga",
title = "Local electronic structures of hydrogen and phase
stability of vanadium hydride, {V$_2$H}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "263--273",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42054-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420546",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Takahara:2003:STT,
author = "Wataru Takahara and Hiroshi Maeda and Fumiyoshi
Minami",
title = "Superconducting transition temperature of {Laves}
phase {V$_2$Zr} compounds with alloyed magnetic
elements",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "275--281",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42055-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420558",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mukoyama:2003:NAE,
author = "Takeshi Mukoyama and Masayuki Uda",
title = "A new approach to electron transition during
inner-shell ionization",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "283--297",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42056-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760342056X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mozos:2003:DFT,
author = "Jos{\'e}Luis Mozos and Pablo Ordej{\'o}n and Mads
Brandbyge and Jeremy Taylor and Kurt Stokbro",
title = "Density functional theory calculations of quantum
electron transport: carbon nanotubes-gold contacts",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "299--314",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42057-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420571",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Liu:2003:ECB,
author = "Yi Liu and Hiroshi Yukawa and Masahiko Morinaga",
title = "Energetics and chemical bonding of lithium absorbed
carbon nanotubes",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "315--330",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42058-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420583",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kover:2003:IAS,
author = "L{\'a}szl{\'o} K{\"o}v{\'e}r",
title = "Interpreting {Auger} spectra in cluster
approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "331--352",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42059-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420595",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Muramatsu:2003:TPS,
author = "Yasuji Muramatsu",
title = "Theoretically predicted soft x-ray emission and
absorption spectra of graphitic-structured {BC$_2$N}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "353--361",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42060-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420601",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nagy:2003:TES,
author = "{\'A}. Nagy",
title = "Theories for excited states",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "363--381",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42061-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420613",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2003:NPT,
author = "Erkki J. Br{\"a}ndas",
title = "New perspectives in theoretical chemical physics",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "383--397",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42062-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420625",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nakajima:2003:NES,
author = "Y. Nakajima and M. Hoshino and D. Yamashita and M.
Uda",
title = "Near edge structures of {Mg}-, {Co}-, {Cu}- and
{Zn}-tetraphenylporphyrins measured by {PESA} and
calculated with {DV--X$\alpha$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "399--405",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42063-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420637",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Matsuo:2003:TAX,
author = "Shuji Matsuo and Kaori Shirozu and Yuichi Tateishi and
Hisanobu Wakita and Takushi Yokoyama",
title = "Theoretical analysis of {XANES} for aqueous aluminum
salt solutions",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "407--417",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42064-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420649",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yamashita:2003:SAC,
author = "D. Yamashita and Y. Nakajima and H. Nakamatsu and M.
Uda",
title = "Self-absorption correction for {Mn}, {Fe} and {Cu} {L}
{X}-ray spectra based on {MO} calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "419--427",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42065-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420650",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sakai:2003:FPA,
author = "Yoshiyuki Sakai",
title = "First-principles analysis of tunneling spectra for
rutile {TiO$_2$} (110) surface with oxygen vacancies",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "429--438",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42066-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420662",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Esashi:2003:ESS,
author = "Noboru Esashi and Yasuhiko Ohama and Yoshinori
Hayafuji",
title = "Electronic structures of silicon clusters with
vacancies",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "439--451",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42067-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420674",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Uchida:2003:DSC,
author = "Yoko Uchida and Tomoko Jimbo and D. Yamashita and M.
Uda",
title = "Density of states of {Cu} with stacking faults",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "453--463",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42068-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420686",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sugihara:2003:AWP,
author = "Sunao Sugihara and Masahiro Yamamoto and Takamasa
Isobe and Yukio Yutoh",
title = "Analysis of wetting property of electrode metal on
{A1N} at their interface using discrete
variational-{X$\alpha$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "465--474",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42069-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420698",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Adachi:2003:P,
author = "H. Adachi and M. Uda and H. Wakita",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "xvii--xvii",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42037-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420376",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "xiii--xvi",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42036-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420364",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "42",
pages = "ii--iii",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)42035-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603420352",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nesbet:2003:LNP,
author = "Robert K. Nesbet",
title = "Local and Nonlocal Potential Functions in Density
Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "1--23",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43001-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430013",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{vanLeeuwen:2003:DFA,
author = "Robert van Leeuwen",
title = "Density Functional Approach to the Many-Body Problem:
Key Concepts and Exact Functionals",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "25--94",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43002-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430025",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lindgren:2003:DDF,
author = "Ingvar Lindgren and Sten Salomonson",
title = "Differentiability in Density-Functional Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "95--117",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43003-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430037",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nalewajski:2003:ESC,
author = "Roman F. Nalewajski",
title = "Electronic Structure and Chemical Reactivity: Density
Functional and Information-Theoretic Perspectives",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "119--184",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43004-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430049",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Avery:2003:KPC,
author = "John Avery and James Avery",
title = "{Kramers} Pairs in Configuration Interaction",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "185--206",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43005-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430050",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Avery:2003:NOG,
author = "John Avery and James Avery and Osvaldo Goscinski",
title = "Natural Orbitals from Generalized {Sturmian}
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "207--216",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43006-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430062",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Miyazaki:2003:CER,
author = "T. Miyazaki",
title = "Comment from Experimental Results on {``Was
{H$_2$}$^-$ Observed in Solid H$_2$? A Theoretical
Answer'' (H. U. Suter, B. Engels and S. Lunell, Adv.
Quantum Chem. {\bf 40} (2001) 133)}",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "217--218",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43007-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
note = "See \cite{Suter:2001:WHO}.",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430074",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Cc,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "v--vii",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43010-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430104",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "ix--ix",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43008-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430086",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Pa,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "43",
pages = "xi--xii",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)43009-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603430098",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bersuker:2003:UJT,
author = "Isaac B. Bersuker",
title = "A Unique {Jahn--Teller} Mechanism of all the Symmetry
Breakings in Molecular Systems and Condensed Matter",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "1--12",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44001-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760344001X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Judd:2003:IQ,
author = "B. R. Judd and Edwin Lo",
title = "Icosahedral Quarks",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "13--19",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44002-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440021",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Savage:2003:APH,
author = "E. D. Savage and G. E. Stedman",
title = "Antilinear Particle--Hole Conjugation Operators in
{Jahn--Teller} Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "21--43",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44003-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440033",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bevilacqua:2003:RTI,
author = "Giuseppe Bevilacqua and Liana Martinelli and Giuseppe
Pastori Parravicini",
title = "{Renner--Teller} Interaction Matrices and {Green}'s
Function Formalism",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "45--57",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44004-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440045",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Polinger:2003:TJT,
author = "Victor Polinger",
title = "Tunneling in {Jahn--Teller} Systems and
Multidimensional {WKB} Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "59--88",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44005-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440057",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Li:2003:TPG,
author = "Huanming Li and Victor Z. Polinger and Janette L. Dunn
and Colin A. Bates",
title = "Tunneling Path and Ground State Crossover in Linear
{$T \otimes (e \oplus t_2)$} and Quadratic {$G \otimes
(g \oplus h)$} {Jahn--Teller} Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "89--102",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44006-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440069",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Baer:2003:ENA,
author = "M. Baer and {\'A}. Vib{\'o}k and G. J. Hal{\'a}sz and
D. J. Kouri",
title = "The Electronic Non-Adiabatic Coupling Terms: On the
Connection between Molecular Physics and Field Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "103--118",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44007-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440070",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kryachko:2003:NCG,
author = "Eugene S. Kryachko",
title = "Nonadiabatic Coupling: General Features and Relation
to Molecular Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "119--133",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44008-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440082",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hizhnyakov:2003:JTE,
author = "V. Hizhnyakov and V. Boltrushko and H. Kaasik and I.
Sildos",
title = "{Jahn--Teller} Effect in the Excited State: Anomalous
Temperature Dependence of the Zero-Phonon Line",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "135--149",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44009-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440094",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hizhnyakov:2003:CDM,
author = "V. Hizhnyakov and H. Kaasik",
title = "Critical Dependence of Multiphonon Transitions on
Interaction Strength and Temperature",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "151--168",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44010-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440100",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Al-Hazmi:2003:NCC,
author = "Faten Al-Hazmi and Victor Z. Polinger and Janette L.
Dunn and Colin A. Bates and Elie A. Moujaes and Michel
Abou-Ghantous",
title = "Non-Condon Correction to {Franck--Condon} Values of
Second-order Reduction Factors: The Cubic ${T}$ Term",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "169--182",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44011-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440112",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lijnen:2003:EKG,
author = "Erwin Lijnen and Arnout Ceulemans",
title = "Embedding of the {K$_{10}$} Graph on a Surface with
Seven Cross-caps and the Icosahedral {$H \otimes 2h$}
{Jahn--Teller} Surface",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "183--198",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44012-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440124",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Koppel:2003:CJT,
author = "H. K{\"o}ppel and I. B{\^a}ldea and P. G. Szalay",
title = "Combined {Jahn--Teller} and Pseudo-{Jahn--Teller}
Effects in the Benzene Radical Cation",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "199--217",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44013-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440136",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fowler:2003:SAD,
author = "P. W. Fowler",
title = "Symmetry Aspects of Distortivity in $\pi$ Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "219--237",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44014-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440148",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sato:2003:JTE,
author = "Tohru Sato and Yasutaka Kuzumoto and Ken Tokunaga and
Hideaki Tanaka and Hiroshi Imahori",
title = "{Jahn--Teller} Effect in Circulenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "239--255",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44015-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760344015X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kato:2003:VIJ,
author = "Takashi Kato and Kazuyuki Hirao",
title = "Vibronic Interactions and {Jahn--Teller} Effects in
Charged Hydrocarbons",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "257--271",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44016-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440161",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cimpoesu:2003:SHE,
author = "F. Cimpoesu and K. Hirao and N. Stanica and V.
Chihaia",
title = "The Spin {Hamiltonian} Effective Approach to the
Vibronic Effects-Selected Cases",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "273--288",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44017-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440173",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Luders:2003:JTD,
author = "Martin L{\"u}ders and Nicola Manini",
title = "{Jahn--Teller} Distortions and Excitation Energies in
{C$_{60}$}$^{n+}$",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "289--304",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44018-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440185",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nikolaev:2003:MEH,
author = "A. V. Nikolaev and K. H. Michel",
title = "Many Electron- and Hole Terms of Molecular Ions
{C$_{60}$}$^{n\pm}$",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "305--312",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44019-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440197",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kato:2003:CSD,
author = "Tatsuhisa Kato",
title = "Cage Structure Distortion of Fullerenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "313--317",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44020-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440203",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sookhun:2003:MOT,
author = "S. S. Sookhun and C. A. Bates and J. L. Dunn and W.
Diery",
title = "Multiple Occupancy of Triply Degenerate States in
Icosahedral Symmetry",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "319--334",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44021-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440215",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hands:2003:VIS,
author = "I. D. Hands and J. L. Dunn and C. A. Bates",
title = "Vibronic-induced Shifts in the Optical Spectra of
Doped Fullerenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "335--353",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44022-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440227",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Atanasov:2003:DBP,
author = "M. Atanasov and D. Reinen",
title = "A {DFT} Based Parameterization of the Vibronic Mixing
between Two Non-degenerate Electronic States and the
Application to $s^2$-lone Pairs",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "355--368",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44023-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440239",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cimpoesu:2003:IAA,
author = "F. Cimpoesu and K. Hirao",
title = "The Ab Initio Analytical Approach of Vibronic
Quantities: Application to Inorganic Stereochemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "369--387",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44024-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440240",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Borshch:2003:VIH,
author = "Serguei A. Borshch",
title = "Vibronic Interactions in High Nuclearity Clusters",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "389--400",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44025-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440252",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ogurtsov:2003:JTO,
author = "I. Ya. Ogurtsov and V. Mirzac",
title = "On the {Jahn--Teller} Origin of the Phosphorus
Molecule {P$_4$} Activation by One- and Two-Electron
Reduction",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "401--412",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44026-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440264",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Dunbar:2003:MPL,
author = "Kim R. Dunbar and Eric J. Schelter and Boris S.
Tsukerblat and Andrei V. Palii and Sergei M. Ostrovsky
and Vadim Yu. Mirovitskii and Sophia I. Klokishner",
title = "Magnetic Properties of a Low Symmetry $d^5$ Complex:
An Adiabatic Pseudo-{Jahn--Teller} Problem",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "413--428",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44027-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440276",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Coronado:2003:PJT,
author = "E. Coronado and S. Klokishner and O. Reu and B.
Tsukerblat",
title = "Pseudo-{Jahn--Teller} Origin of the Metastable States
in Sodium Nitroprusside",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "429--444",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44028-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440288",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Aramburu:2003:JTI,
author = "J. A. Aramburu and M. T. Barriuso and P. {Garc{\'\i}a
Fern{\'a}ndez} and M. Moreno",
title = "{Jahn--Teller} Ions in Cubic Crystals Explored Through
{DFT} Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "445--459",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44029-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760344029X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tregenna-Piggott:2003:AER,
author = "Philip L. W. Tregenna-Piggott",
title = "Analysis of the {EPR} and {Raman} Scattering of
Copper({II}) Doped {CaO}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "461--481",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44030-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440306",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yablokov:2003:MJT,
author = "Yurii V. Yablokov and Maria A. Augustyniak-Jablokow
and Michael Hitchman and Dirk Reinen",
title = "The Mechanisms of {Jahn--Teller} Complex
Reorientations",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "483--496",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44031-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440318",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fishman:2003:DCJ,
author = "A. Ya Fishman and M. A. Ivanov and T. E. Kurennykh and
A. S. Lahtin and L. L. Surat and V. B. Vykhodets",
title = "Diffusion in Concentrated {Jahn--Teller} Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "497--508",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44032-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760344032X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Acevedo:2003:SIC,
author = "R. Acevedo and C. Portillo and G. Navarro and T.
Meruane",
title = "Spectral Intensities in Cubic Stoichiometric
Elpasolites: The {Cs$_2$NaSmCl$_6$} and
{Cs$_2$NaEuCl$_6$} Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "509--525",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44033-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440331",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Avram:2003:JTE,
author = "C. N. Avram and Gh. E. Draganescu and N. M. Avram",
title = "{Jahn--Teller} Effect in Laser Crystal {LiCaAlF$_6$
$\colon$ Cr$^{3+}$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "527--534",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44034-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440343",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Suzuki:2003:ECJ,
author = "Shugo Suzuki and Tadahiko Chida and Kenji Nakao",
title = "Electron Correlation and {Jahn--Teller} Effect in
Alkali-Metal-Doped {C$_{60}$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "535--554",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44035-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440355",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kristoffel:2003:VRS,
author = "N. Kristoffel",
title = "Vibronic Renormalization of Superconductivity Gaps in
a Two-Band Model of Cuprates",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "555--561",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44036-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440367",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Gordon:2003:OOC,
author = "I. Gordon and P. Wagner and V. V. Moshchalkov and Y.
Bruynseraede and L. Pinsard and A. Revcolevschi",
title = "Orbital Ordering and the Cooperative {Jahn--Teller}
Effect in Single Crystals of the Magnetic Perovskite
{La$_{7/8}$Sr$_{1/8}$MnO$_3$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "563--578",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44037-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440379",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Dolin:2003:LTP,
author = "S. P. Dolin and A. A. Levin and T. Yu Mikhailova and
M. V. Solin",
title = "Low-Temperature Phase Transition and Structure of
Ordered Phase in {K$_3$H(SO$_4$)$_2$} ({TKHS})-Family
Materials",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "579--586",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44038-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440380",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nikiforov:2003:CDE,
author = "A. E. Nikiforov and S. E. Popov",
title = "Cooperative Dynamical Effect in Rhombohedral
{LaMnO$_3$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "587--598",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44039-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440392",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mironov:2003:FOP,
author = "V. S. Mironov and L. F. Chibotaru and A. Ceulemans",
title = "First-order Phase Transition in {UO$_2$}: The
Interplay of the $5f^2$--$5f^2$ Superexchange
Interaction and {Jahn--Teller} Effect",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "599--616",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44040-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440409",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nakano:2003:DJT,
author = "Motohiro Nakano and Gen-etsu Matsubayashi and Takasuke
Matsuo",
title = "Dynamic {Jahn--Teller} Character of Manganese({III})
Spin-Crossover Complex {[Mn(taa)] ({H$_3$}
taa\doublebond{}tris(1-(2-azolyl)-2-azabuten-4-yl)amine)}",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "617--630",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44041-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440410",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Majernikova:2003:GSQ,
author = "Eva Majern{\'\i}kov{\'a} and S. Shpyrko",
title = "Ground State of Quantum {Jahn--Teller} Model:
Selftrapping vs. Correlated Phonon-assisted Tunneling",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "631--648",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44042-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440422",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Chibotaru:2003:MAC,
author = "L. F. Chibotaru",
title = "Microscopic Approach to Cooperative {Jahn--Teller}
Effect in Crystals with Strong Intra-Site Vibronic
Coupling",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "649--667",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44043-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440434",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:AIB,
author = "Anonymous",
title = "Anniversary {Isaac Bersuker} 75",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "xxxiii--xxxvi",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44048-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440483",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Ce,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "v--xvi",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44045-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440458",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Cf,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "xvii--xxii",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44046-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760344046X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:OFH,
author = "Anonymous",
title = "Obituary {Frank Ham} (1928--2002)",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "xxvii--xxxi",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44047-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440471",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2003:Pb,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "44",
pages = "xxiii--xxv",
year = "2003",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(03)44049-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327603440495",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2004:TCE,
author = "Remigio Cabrera-Trujillo and John R. Sabin",
title = "The Theory and Computation of Energy Deposition
Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "1--5",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45001-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450011",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Grande:2004:IEL,
author = "P. L. Grande and G. Schiwietz",
title = "Ionization and Energy Loss Beyond Perturbation
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "7--46",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45002-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450023",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Arista:2004:NLA,
author = "N{\'e}stor R. Arista and Agust{\'\i}n F. Lifschitz",
title = "Non-Linear Approach to the Energy Loss of Ions in
Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "47--77",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45003-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450035",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Caturla:2004:MDS,
author = "M. J. Caturla and A. Gras Mart{\'\i} and J. J.
Jim{\'e}nez-Rodr{\'\i}guez and J.-C. Jim{\'e}nez Saez
and M.-C. P{\'e}rez-Mart{\'\i}n",
title = "Molecular Dynamics Simulations of Energy Deposition in
Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "79--98",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45004-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450047",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2004:DPS,
author = "R. Cabrera-Trujillo and J. R. Sabin and E. Deumens and
Y. {\"O}hrn",
title = "Dynamical Processes in Stopping Cross Sections",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "99--124",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45005-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450059",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Khodyrev:2004:TEL,
author = "V. A. Khodyrev",
title = "The Treatment of Energy Loss in Terms of Induced
Current Density",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "125--158",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45006-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450060",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{McGuire:2004:UGF,
author = "E. J. McGuire",
title = "The Use of {Green}'s Functions in the Calculation of
Proton Stopping Power",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "159--174",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45007-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450072",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Monreal:2004:CEP,
author = "R. C. Monreal and F. Flores",
title = "Charge Exchange Processes in Low Energy Ion-Metal
Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "175--199",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45008-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450084",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Muino:2004:NSE,
author = "R. D{\'\i}ez Mui{\~n}o and A. Arnau",
title = "Nonlinear Screening and Electron Capture Processes of
Ions in Metals",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "201--221",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45009-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450096",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Alducin:2004:ELI,
author = "M. Alducin and J. I. Juaristi",
title = "Energy Loss in the Interaction of Atomic Particles
with Solid Surfaces",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "223--245",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45010-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450102",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pitarke:2004:NBS,
author = "J. M. Pitarke and I. G. Gurtubay and V. U. Nazarov",
title = "Nonlinear, Band-Structure, and Surface Effects in the
Interaction of Charged Particles with Solids",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "247--275",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45011-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450114",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mathar:2004:ESM,
author = "Richard J. Mathar and S. B. Trickey and John R.
Sabin",
title = "Electronic Stopping and Momentum Density of Diamond
from First-Principles Treatment of the Microscopic
Dielectric Function",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "277--288",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45012-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450126",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Ca,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "v--viii",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45013-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450138",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "ix--x",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45014-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760445014X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Pa,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "45 (part 1)",
pages = "xi--xi",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)45015-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604450151",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sarasola:2004:DFT,
author = "A. Sarasola and R. H. Ritchie and E. Zaremba and P. M.
Echenique",
title = "Density Functional Theory-based Stopping Power for
{$3$D} and {$2$D} Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "1--28",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46001-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460018",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tokesi:2004:FFC,
author = "K. T{\H{o}}k{\'e}si and X.-M. Tong and C. Lemell and
J. Burgd{\"o}rfer",
title = "Friction Force for Charged Particles at Large
Distances from Metal Surfaces",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "29--64",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46002-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760446002X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{GarciadeAbajo:2004:RCE,
author = "F. J. {Garc{\'\i}a de Abajo} and V. H. Ponce",
title = "Resonant-Coherent Excitation of Channeled Ions",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "65--89",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46003-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460031",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Porter:2004:BEC,
author = "L. E. Porter",
title = "The {Barkas}-Effect Correction to {Bethe--Bloch}
Stopping Power",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "91--119",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46004-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460043",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2004:MSP,
author = "Remigio Cabrera-Trujillo and John R. Sabin and Jens
Oddershede",
title = "Molecular Stopping Powers from the Target Oscillator
Strength Distribution",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "121--151",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46005-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460055",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bauer:2004:CPS,
author = "Peter Bauer and Dieter Semrad",
title = "Chemical and Physical State Effects in Electronic
Stopping",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "153--163",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46006-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460067",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pichl:2004:CCS,
author = "Luk{\'a}s Pichl and Robert J. Buenker and Mineo
Kimura",
title = "Calculation of Cross-Sections for Proton and
Antiproton Stopping in Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "165--193",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46007-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460079",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cruz:2004:ACB,
author = "Salvador A. Cruz and Jacques Soullard",
title = "Advances in the Core-and-Bond Formalism for Proton
Stopping in Molecular Targets",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "195--239",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46008-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460080",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cohen:2004:ARS,
author = "Scott M. Cohen",
title = "Aspects of Relativistic Sum Rules",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "241--265",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46009-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460092",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nagy:2004:SPE,
author = "Istv{\'a}n Nagy and Barnab{\'a}s Apagyi",
title = "Stopping Power of an Electron Gas for Heavy Unit
Charges: Models in the Kinetic Approximation",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "267--291",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46010-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460109",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Dufty:2004:HIH,
author = "James W. Dufty and Bernard Talin and Annette Calisti",
title = "High {$Z$} Ions in Hot, Dense Matter",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "293--305",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46011-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460110",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Stolterfoht:2004:IEE,
author = "N. Stolterfoht and B. Sulik",
title = "Interferences in Electron Emission from {H$_2$}
Induced by Fast Ion Impact",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "307--327",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46012-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460122",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bichsel:2004:TAN,
author = "Hans Bichsel",
title = "Thoughts About Nanodosimetry",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "329--338",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46013-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460134",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Cc,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "v--viii",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46014-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460146",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "ix--x",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46015-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604460158",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "46 (part 2)",
pages = "xi--xi",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)46016-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760446016X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lill:2004:DCC,
author = "Sten O. Nilsson Lill and Peter Din{\'e}r and Daniel
Pettersen and Mohamed Amedjkouh and Per Ahlberg",
title = "Development of Chiral Catalysts for Stereoselective
Synthesis by Deprotonations - Experimentation in
Interplay with Computational Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "1--22",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47001-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470014",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Henningsson:2004:PIP,
author = "A. Henningsson and A. Stashans and A. Sandell and H.
Rensmo and S. S{\"o}dergren and H. Lindstr{\"o}m and L.
Vayssieres and A. Hagfeldt and S. Lunell and H.
Siegbahn",
title = "Proton Insertion in Polycrystalline {WO$_3$} Studied
with Electron Spectroscopy and Semi-empirical
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "23--36",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47002-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470026",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Roos:2004:ESO,
author = "Bj{\"o}rn O. Roos and Per-{\AA}ke Malmqvist",
title = "On the Effects of Spin-Orbit Coupling on Molecular
Properties: Dipole Moment and Polarizability of {PbO}
and Spectroscopic Constants for the Ground and Excited
States",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "37--49",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47003-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470038",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fileti:2004:TFI,
author = "Eudes E. Fileti and Kaline Coutinho and Sylvio
Canuto",
title = "Is There a Favorite Isomer for Hydrogen-Bonded
Methanol in Water?",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "51--63",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47004-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760447004X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Duan:2004:VAF,
author = "Guilin Duan and Vedene H. {Smith, Jr.} and Donald F.
Weaver",
title = "Validation of the Applicability of Force Fields to
Reproduce Ab Initio Noncovalent Interactions Involving
Aromatic Groups",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "65--92",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47005-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470051",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2004:JBN,
author = "Erkki J. Br{\"a}ndas",
title = "Are {Jordan} Blocks Necessary for the Interpretation
of Dynamical Processes in Nature?",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "93--106",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47006-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470063",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Weiner:2004:AGP,
author = "Brian Weiner",
title = "Antisymmetrized Geminal Power Coherent States",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "107--127",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47007-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470075",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Harris:2004:CMC,
author = "Frank E. Harris",
title = "Current Methods for {Coulomb} Few-Body Problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "129--155",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47008-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470087",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Avery:2004:ADP,
author = "John Avery and James Avery and Vincenzo Aquilanti and
Andrea Caligiana",
title = "Atomic Densities, Polarizabilities, and Natural
Orbitals Derived from Generalized {Sturmian}
Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "157--176",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47009-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470099",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lazzeretti:2004:EFG,
author = "Paolo Lazzeretti",
title = "Electric Field Gradient Effects on Magnetic
Susceptibility",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "177--191",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47010-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470105",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Goodson:2004:SSM,
author = "David Z. Goodson and Alexey V. Sergeev",
title = "Singularity Structure of {M}{\o}ller-Plesset
Perturbation Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "193--208",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47011-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470117",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Musial:2004:AIO,
author = "Monika Musial and Stanislaw A. Kucharski and Rodney J.
Bartlett",
title = "Approximate Inclusion of the {$T_3$} and {$R_3$}
Operators in the Equation-of-motion Coupled-cluster
Method",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "209--222",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47012-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470129",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Palma:2004:OAF,
author = "Alejandro Palma",
title = "Operator Algebra: From {Franck--Condon} to {Floquet}
Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "223--238",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47013-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470130",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sjoqvist:2004:ANT,
author = "Erik Sj{\"o}qvist",
title = "On the Alleged Nonlocal and Topological Nature of the
Molecular {Aharonov--Bohm} Effect",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "239--252",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47014-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470142",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2004:CCS,
author = "R. Cabrera-Trujillo and John R. Sabin and E. Deumens
and Y. {\"O}hrn",
title = "Calculation of Cross Sections in Electron-Nuclear
Dynamics",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "253--274",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47015-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470154",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tapia:2004:GED,
author = "O. Tapia and Gustavo A. Arteca",
title = "Generalized Electronic Diabatic Ansatz:{A}
Post-Born--Oppenheimer Approach to Electronuclear
Dynamics in External Fields",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "275--291",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47016-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470166",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Micha:2004:QCD,
author = "David A. Micha and Brian Thorndyke",
title = "The Quantum-Classical Density Operator for
Electronically Excited Molecular Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "293--314",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47017-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470178",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Trsic:2004:GCM,
author = "Milan Trsic and Wagner F. D. Angelotti and F{\'a}bio
A. Molfetta",
title = "The Generator Coordinate Method for Atomic and
Molecular Systems: Revision and Further Developments",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "315--329",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47018-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760447018X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Gindensperger:2004:HQC,
author = "E. Gindensperger and C. Meier and J. A. Beswick",
title = "Hybrid Quantum\slash Classical Dynamics Using
{Bohmian} Trajectories",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "331--346",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47019-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470191",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bendazzoli:2004:HMP,
author = "Gian Luigi Bendazzoli and Stefano Evangelisti",
title = "The {H{\"u}ckel} Model of Polyacetylene Revisited:
Asymptotic Analysis of {Peierls} Instability",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "347--368",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47020-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470208",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Springborg:2004:CPE,
author = "Michael Springborg and Yi Dong",
title = "Conjugated Polymers in External {DC} Fields",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "369--392",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47021-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760447021X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Alon:2004:AMC,
author = "Ofir E. Alon and Vitali Averbukh and Nimrod Moiseyev",
title = "Atoms, Molecules, Crystals and Nanotubes in Laser
Fields: From Dynamical Symmetry to Selective High-Order
Harmonic Generation of Soft {X}-Rays",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "393--421",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47022-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470221",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Remacle:2004:SGC,
author = "F. Remacle and E. S. Kryachko",
title = "Small Gold Clusters {Au}$_{5 \leq n \leq 8}$ and Their
Cationic and Anionic Cousins",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "423--464",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47023-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470233",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Froelich:2004:PEA,
author = "P. Froelich and S. Jonsell and A. Saenz and S.
Eriksson and B. Zygelman and A. Dalgarno",
title = "Positron-Electron Annihilation in
Hydrogen-Antihydrogen Collisions",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "465--480",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47024-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470245",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:A,
author = "Anonymous",
title = "Acknowledgement",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "xix--xix",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47029-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470294",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Ce,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "v--xi",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47025-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470257",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Cf,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "xiii--xvi",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47027-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470270",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:LPO,
author = "Anonymous",
title = "List of publications of Osvaldo Goscinski",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "xxiii--xxx",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47031-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470312",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:Pb,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "xvii--xviii",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47026-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470269",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2004:QCT,
author = "Anonymous",
title = "Quantum Chemistry - Theory, Models, and Computations",
journal = j-ADV-QUANTUM-CHEM,
volume = "47",
pages = "xxi--xxii",
year = "2004",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(04)47030-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327604470300",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Linderberg:2005:BPA,
author = "Jan Linderberg",
title = "Bonding in the Perchlorate Anion and Radical",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "1--8",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48001-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480016",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pawlowski:2005:CMA,
author = "Filip Pawlowski and Poul J{\o}rgensen and Christof
H{\"a}ttig",
title = "{Cauchy} Moments of {Ne}, {Ar}, and {Kr} Atoms
Calculated Using the Approximate {Coupled Cluster
Triples} Model {CC3}",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "9--21",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48002-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480028",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bihary:2005:DST,
author = "Zsolt Bihary and Mark A. Ratner",
title = "Density of States and Transmission in Molecular
Transport Junctions",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "23--34",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48003-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760548003X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Monkhorst:2005:GME,
author = "Hendrik J. Monkhorst",
title = "{GW} Method for Extended, Periodic Systems with a
Mixed {Slater}-Orbital\slash Plane-Wave Basis and
{Fourier} Transform Techniques",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "35--45",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48004-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480041",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2005:OEE,
author = "Remigio Cabrera-Trujillo and John R. Sabin and Erik
Deumens and Yngve {\"O}hrn",
title = "Orientational Effects in Energy Deposition by Protons
in Water",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "47--57",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48005-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480053",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lo:2005:LLE,
author = "John M. H. Lo and Mariusz Klobukowski and Geerd H. F.
Diercksen",
title = "Low-Lying Excited States of the Hydrogen Molecule in
Cylindrical Harmonic Confinement",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "59--89",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48006-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480065",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sigmund:2005:ICQ,
author = "Peter Sigmund",
title = "Interplay of Classical and Quantum Mechanics in the
Theory of Charged-Particle Stopping",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "91--110",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48007-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480077",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Perram:2005:EFW,
author = "John W. Perram and Edgar R. Smith",
title = "Elliptic Functions of the Worst Kind: Non-linear
Quantisation of the Classical Spherical Pendulum",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "111--125",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48008-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480089",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Contreras:2005:TNS,
author = "Rub{\'e}n H. Contreras and Juan E. Peralta and
Ver{\'o}nica Barone and Gustavo E. Scuseria",
title = "Theoretical {NMR} {$^n$J($^{13}$C, $^{13}$C)} Scalar
Couplings as Probes to Study Diamagnetic Ring Currents
in Fullerenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "127--139",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48009-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480090",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Canuto:2005:DPF,
author = "Sylvio Canuto and Kaline Coutinho and Prasanta K.
Mukherjee",
title = "The Dipole Polarizability of {F$^-$} in Aqueous
Solution. {A} Sequential {Monte Carlo}\slash Quantum
Mechanics Study",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "141--150",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48010-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480107",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Komasa:2005:SNP,
author = "Jacek Komasa",
title = "In Search for the Negative Polarizability States ---
the {E F $^1\Sigma_g^+$} State of Hydrogen Molecule",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "151--159",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48011-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480119",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sanchez:2005:ULD,
author = "Marina Sanchez and Patricio F. Provasi and Gustavo A.
Aucar and Stephan P. A. Sauer",
title = "On the Usage of Locally Dense Basis Sets in the
Calculation of {NMR} Indirect Nuclear Spin-Spin
Coupling Constants: Vicinal Fluorine-Fluorine
Couplings",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "161--183",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48012-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480120",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Paidarova:2005:CDQ,
author = "Ivana Paidarov{\'a} and Stephan P. A. Sauer",
title = "Calculations of Dipole and Quadrupole Polarizability
Radial Functions for {LiH} and {HF}: {A} Comparison of
Different Linear Response Methods",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "185--208",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480132",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yurchenko:2005:RVM,
author = "Sergei N. Yurchenko and Walter Thiel and Miguel
Carvajal and Hai Lin and Per Jensen",
title = "Rotation-Vibration Motion of Pyramidal {XY$_3$}
Molecules Described in the {Eckart} Frame: The
Calculation of Intensities with Application to
{NH$_3$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "209--238",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48014-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480144",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sobczyk:2005:DLE,
author = "Monika Sobczyk and Piotr Skurski and Jack Simons",
title = "Dissociative Low-Energy Electron Attachment to the
{C\bond{}S} Bond of {H$_3$CSCH$_3$} Influenced by
{Coulomb} Stabilization",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "239--251",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48015-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480156",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ogilvie:2005:DFA,
author = "J. F. Ogilvie and J. Oddershede",
title = "Dunham's Formalism Applied in Reduction of Spectral
Data of Diatomic Molecules and the Development of
Computational Spectrometry",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "253--317",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48016-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480168",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sauer:2005:QCC,
author = "Stephan P. A. Sauer and Hans J{\o}rgen Aa. Jensen and
John F. Ogilvie",
title = "Quantum-Chemical Calculations of Radial Functions for
Rotational and Vibrational $g$ Factors, Electric
Dipolar Moment and Adiabatic Corrections to the
Potential Energy for Analysis of Spectra of {HeH$^+$}",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "319--334",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48017-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760548017X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cabrera-Trujillo:2005:OIK,
author = "R. Cabrera-Trujillo and S. A. Cruz and J. Soullard",
title = "From the Orbital Implementation of the Kinetic Theory
to the Polarization Propagator Method in the Study of
Energy Deposition Problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "335--367",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48018-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480181",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Visscher:2005:MBE,
author = "Lucas Visscher",
title = "Magnetic Balance and Explicit Diamagnetic Expressions
for Nuclear Magnetic Resonance Shielding Tensors",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "369--381",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48019-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480193",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Saue:2005:SIN,
author = "Trond Saue",
title = "Spin-Interactions and the Non-relativistic Limit of
Electrodynamics",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "383--405",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48020-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760548020X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Harris:2005:HCW,
author = "Frank E. Harris and Vedene H. {Smith, Jr.}",
title = "Highly Compact Wavefunctions for Two-Electron
Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "407--419",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48021-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480211",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Raab:2005:EET,
author = "Juraj Raab and Bj{\"o}rn O. Roos",
title = "Excitation Energies for Transition Metal Atoms - {A}
Comparison between Coupled Cluster Methods and
Second-Order Perturbation Theory",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "421--433",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48022-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480223",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Perera:2005:RRT,
author = "S. Ajith Perera and Rodney J. Bartlett",
title = "A Reinvestigation of {Ramsey}'s Theory of {NMR}
Coupling",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "434--467",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48023-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480235",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sauer:2005:RTH,
author = "Stephan P. A. Sauer",
title = "The Rotational $g$ Tensor of {HF}, {H$_2$O}, {NH$_3$},
and {CH$_4$}: {A} Comparison of Correlated Ab Initio
Methods",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "469--490",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48024-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480247",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Ca,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "v--xi",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48025-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480259",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "xiii--xv",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48026-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480260",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Oddershede:2005:JOA,
author = "Lene B. Oddershede and John R. Sabin",
title = "Jens Oddershede - Adventurer in Quantum Chemistry",
journal = j-ADV-QUANTUM-CHEM,
volume = "48",
pages = "xvii--xix",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)48027-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605480272",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Wladyslawski:2005:AEG,
author = "Mark Wladyslawski and Marcel Nooijen",
title = "Analytical Energy Gradients for Excited-State
Coupled-Cluster Methods: Automated Algebraic Derivation
of First Derivatives for Equation-of-Motion
Coupled-Cluster and Similarity Transformed
Equation-of-Motion Coupled-Cluster Theories",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "1--101",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49001-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490012",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Avery:2005:ASA,
author = "James Avery and John Avery",
title = "Autoionizing States of Atoms Calculated Using
Generalized {Sturmians}",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "103--119",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49002-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490024",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Carbo-Dorca:2005:MEQ,
author = "Ramon Carb{\'o}-Dorca",
title = "Mathematical Elements of Quantum Electronic Density
Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "121--207",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49003-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490036",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Aspuru-Guzik:2005:QMC,
author = "Al{\'a}n Aspuru-Guzik and William A. {Lester, Jr.}",
title = "Quantum {Monte Carlo}: Theory and Application to
Molecular Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "209--226",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49004-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490048",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Capozziello:2005:FPQ,
author = "Salvatore Capozziello and Alessandra Lattanzi",
title = "From {Fischer} Projections to Quantum Mechanics of
Tetrahedral Molecules: New Perspectives in Chirality",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "227--247",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49005-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760549005X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Masiello:2005:CFE,
author = "David Masiello and Erik Deumens and Yngve {\"O}hrn",
title = "On the Canonical Formulation of Electrodynamics and
Wave Mechanics",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "249--297",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49006-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490061",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sabin:2005:SPW,
author = "John R. Sabin and Jens Oddershede",
title = "Stopping Power --- What Next?",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "299--319",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49007-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490073",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Cb,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "v--vii",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49010-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490103",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Ce,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "ix--ix",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49008-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490085",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2005:P,
author = "Erkki Br{\"a}ndas and John R. Sabin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "49",
pages = "xi--xii",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)49009-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605490097",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cronstrand:2005:MPA,
author = "Peter Cronstrand and Yi Luo and Hans {\AA}gren",
title = "Multi-Photon Absorption of Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "1--21",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50001-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500017",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{DelBene:2005:TBS,
author = "Janet E. {Del Bene} and Jos{\'e} Elguero",
title = "Two-Bond Spin-Spin Coupling Constants
{($^{2h}$J$_{X\bond{}Y}$)} Across {X\bond{}H\bond{}Y}
Hydrogen Bonds: Some Fundamental Questions",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "23--35",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50002-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500029",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hattig:2005:SOE,
author = "Christof H{\"a}ttig",
title = "Structure Optimizations for Excited States with
Correlated Second-Order Methods: {CC2} and {ADC}(2)",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "37--60",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50003-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500030",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Harris:2005:ASH,
author = "Frank E. Harris",
title = "Angular Symmetry and {Hylleraas} Coordinates in
Four-Body Problems",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "61--75",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50004-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500042",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mohn:2005:RTB,
author = "Chris E. Mohn and David J. D. Wilson and Ola B.
Lutn{\ae}s and Trygve Helgaker and Kenneth Ruud",
title = "The Rotational $g$ Tensor as a Benchmark for {\em Ab
Initio} Molecular Property Calculations",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "77--90",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50005-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500054",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Jalkanen:2005:LRP,
author = "K. J. Jalkanen and V. W{\"u}rtz J{\"u}rgensen and I.
M. Degtyarenko",
title = "Linear Response Properties Required to Simulate
Vibrational Spectra of Biomolecules in Various Media:
({R})-Phenyloxirane ({A} Comparative Theoretical and
Spectroscopic Vibrational Study)",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "91--124",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50006-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500066",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Gross:2005:TMC,
author = "Allan Gross and Kurt V. Mikkelsen",
title = "A Theoretical Model to Calculate Fundamental Physical
Parameters for Molecule-Particle Interactions",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "125--142",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50007-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500078",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Rizzo:2005:BCB,
author = "Antonio Rizzo and Sonia Coriani",
title = "Birefringences: {A} Challenge for Both Theory and
Experiment",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "143--184",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50008-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760550008X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pecul:2005:ICO,
author = "Magdalena Pecul and Kenneth Ruud",
title = "The Ab Initio Calculation of Optical Rotation and
Electronic Circular Dichroism",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "185--212",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500091",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Simons:2005:RMA,
author = "Jack Simons",
title = "Response of a Molecule to Adding or Removing an
Electron",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "213--233",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50010-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500108",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Berger:2005:NIN,
author = "Raphael J. F. Berger and Dage Sundholm",
title = "A Non-Iterative Numerical Solver of {Poisson} and
{Helmholtz} Equations Using High-Order Finite-Element
Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "235--247",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50011-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760550011X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Urban:2005:STR,
author = "M. Urban and V. Kell{\"o}",
title = "Some Trends in Relativistic and Electron Correlation
Effects in Electric Properties of Small Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "249--269",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50012-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500121",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Rinkevicius:2005:RDF,
author = "Zilvinas Rinkevicius and Lyudmyla Telyatnyk and Olav
Vahtras",
title = "Restricted Density Functional Response Theory for
Open-Shell Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "271--288",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50013-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500133",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yeager:2005:MST,
author = "Danny L. Yeager",
title = "The Multiconfigurational Spin-Tensor Electron
Propagator Method ({MCSTEP})",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "289--313",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50014-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500145",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Cc,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "v--viii",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50015-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500157",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2005:Cf,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "ix--x",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50021-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500212",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Oddershede:2005:PJH,
author = "Jens Oddershede",
title = "Poul {J}{\o}rgensen and His Science",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "xxi--xxix",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50019-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500194",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ohrn:2005:JLS,
author = "Yngve {\"O}hrn",
title = "Jan Linderberg, Scientist, Teacher, Friend",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "xiii--xix",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50018-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500182",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Olsen:2005:P,
author = "Jeppe Olsen and Hans J{\o}rgen Aagaard Jensen",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "50",
pages = "xi--xi",
year = "2005",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50017-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500170",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fan:2006:UEW,
author = "Peng-Dong Fan and Piotr Piecuch",
title = "The Usefulness of Exponential Wave Function Expansions
Employing One- and Two-Body Cluster Operators in
Electronic Structure Theory: The Extended and
Generalized Coupled-Cluster Methods",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "1--57",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51001-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510019",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Wormer:2006:AMD,
author = "Paul E. S. Wormer and Josef Paldus",
title = "Angular Momentum Diagrams",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "59--123",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51002-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510020",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Gutman:2006:CGT,
author = "Ivan Gutman",
title = "Chemical Graph Theory-The Mathematical Connection",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "125--138",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51003-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510032",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Oliferenko:2006:ACE,
author = "Alexander A. Oliferenko and Sergei A. Pisarev and
Vladimir A. Palyulin and Nikolai S. Zefirov",
title = "Atomic Charges via Electronegativity Equalization:
Generalizations and Perspectives",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "139--156",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51004-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510044",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Belkic:2006:FPT,
author = "D{\v{z}}evad Belki{\'c}",
title = "Fast Pad{\'e} Transform for Exact Quantification of
Time Signals in Magnetic Resonance Spectroscopy",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "157--233",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51005-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510056",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nalewajski:2006:PIB,
author = "Roman F. Nalewajski",
title = "Probing the Interplay between Electronic and Geometric
Degrees-of-Freedom in Molecules and Reactive Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "235--305",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51006-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510068",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2006:Ca,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "v--vi",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51007-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760651007X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2006:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "vii--vii",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(05)50016-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327605500169",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2006:P,
author = "Erkki J. Br{\"a}ndas and John R. Sabin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "51",
pages = "ix--x",
year = "2006",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)51009-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606510093",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sabin:2007:TSI,
author = "John R. Sabin",
title = "Theoretical Studies of the Interaction of Radiation
with Biomolecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "1--3",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52001-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520015",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{vonSonntag:2007:FRI,
author = "Clemens von Sonntag",
title = "Free-Radical-Induced {DNA} Damage as Approached by
Quantum-Mechanical and {Monte Carlo} Calculations: An
Overview from the Standpoint of an Experimentalist",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "5--20",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52002-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520027",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Munoz:2007:EDM,
author = "A. Mu{\~n}oz and F. Blanco and J. C. Oller and J. M.
P{\'e}rez and G. Garc{\'\i}a",
title = "Energy Deposition Models at the Molecular Level in
Biological Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "21--57",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52003-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520039",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Li:2007:DTR,
author = "Xifeng Li and Michael D. Sevilla",
title = "{DFT} Treatment of Radiation Produced Radicals in
{DNA} Model Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "59--87",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52004-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520040",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Turecek:2007:CSR,
author = "Franti{\v{s}}ek Ture{\v{c}}ek",
title = "Computational Studies of Radicals Relevant to Nucleic
Acid Damage",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "89--120",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52005-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520052",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cauet:2007:RCN,
author = "Emilie Cau{\"e}t and Jacques Li{\'e}vin",
title = "Radical Cations of the Nucleic Bases and Radiation
Damage to {DNA}: Ab Initio Study",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "121--147",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52006-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520064",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Stolterfoht:2007:CEF,
author = "N. Stolterfoht and R. Cabrera-Trujillo and R.
Hellhammer and Z. Pesi{\'c} and E. Deumens and Y.
{\"O}hrn and J. R. Sabin",
title = "Charge Exchange and Fragmentation in Slow Collisions
of {He$^{2+}$} with Water Molecules",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "149--170",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52007-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520076",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Simons:2007:HVL,
author = "Jack Simons",
title = "How Very Low-Energy (0.1-2 {eV}) Electrons Cause {DNA}
Strand Breaks",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "171--188",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52008-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520088",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Baccarelli:2007:EDM,
author = "I. Baccarelli and F. A. Gianturco and A. Grandi and R.
R. Lucchese and N. Sanna",
title = "Electron-Driven Molecular Processes Induced in
Biological Systems by Electromagnetic and Other
Ionizing Sources",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "189--230",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52009-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760652009X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Jalbout:2007:EAD,
author = "Abraham F. Jalbout and Ludwik Adamowicz",
title = "Electron Attachment to {DNA} Base Complexes",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "231--251",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52010-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520106",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sulik:2007:AMS,
author = "B{\'e}la Sulik and K{\'a}roly T{\H{o}}k{\'e}si",
title = "Accelerating Multiple Scattering of Electrons by Ion
Impact: Contribution to Molecular Fragmentation and
Radiation Damages",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "253--276",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52011-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520118",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Akar:2007:TES,
author = "A. Akar and H. G{\"u}m{\"u}s and N. T.
Okumu{\c{s}}o{\u{g}}lu",
title = "Total Electron Stopping Powers and {CSDA}-Ranges from
$20$ {eV} to $10$ {MeV} Electron Energies for
Components of {DNA} and {RNA}",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "277--288",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52012-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760652012X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Paul:2007:ISP,
author = "Helmut Paul and Oksana Geithner and Oliver J{\"a}kel",
title = "The Influence of Stopping Powers upon Dosimetry for
Radiation Therapy with Energetic Ions",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "289--306",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52013-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520131",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2007:Ca,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "v--viii",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52014-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520143",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2007:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "ix--x",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52015-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520155",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2007:P,
author = "Erkki Br{\"a}ndas and John R. Sabin",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "52",
pages = "xi--xii",
year = "2007",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(06)52016-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327606520167",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ramsey:2008:MRC,
author = "Norman F. Ramsey",
title = "Magnetic Resonance Contributions to Other Sciences",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "1--6",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53001-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530017",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Toschek:2008:SQS,
author = "Peter E. Toschek",
title = "{A} Single Quantum System: Evolution, Prediction,
Observation",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "7--26",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53002-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530029",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mohr:2008:QSP,
author = "Peter J. Mohr",
title = "The Quantum {SI}: {A} Possible New International
System of Units",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "27--36",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53003-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530030",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Drake:2008:SLH,
author = "G. W. F. Drake and Z.-C. Yan",
title = "Studies of Light Halo Nuclei from Atomic Isotope
Shifts",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "37--56",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53004-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530042",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Stohlker:2008:QEO,
author = "Th. St{\"o}hlker and A. Gumberidze and A. Kumar and R.
Reuschl and M. Trassinelli",
title = "Quantum Electrodynamics in One- and Two-Electron High-
${Z}$ Ions",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "57--65",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53005-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530054",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Schuch:2008:PAM,
author = "R. Schuch and I. Bergstr{\"o}m and T. Fritioff and Sz.
Nagy and A. Solders and M. Suhonen",
title = "Precise Atomic Masses for Fundamental Physics
Determined at {SMILETRAP}",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "67--81",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53006-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530066",
abstract = "In this paper we describe the features of the
SMILETRAP Penning trap mass spectrometer and give
examples of recently performed precision mass
measurements. SMILETRAP is designed for precision mass
measurements using the merits of highly-charged ions.
We emphasize here the importance of accurate masses of
hydrogen-like and lithium-like ions for the evaluation
of g-factor measurements of electrons bound to
even--even nuclei and test quantum electrodynamics
(QED). For these experiments the ion masses of
$^{40}$Ca$^{17+}$ and $^{40}$Ca$^{19+}$ were measured
at SMILETRAP with $5 \times 10^{-10}$ precision. Highly
precise mass measurements can also be used for testing
atomic structure calculations and determination of
atomic and nuclear binding energies. Some Q-values are
of fundamental interest, for example, the beta-decay of
tritium and the double beta-decay with no neutrinos of
several nuclei, in particular $^{76}$Ge. These decays
are related to properties of the electron neutrino mass
and whether this neutrino is a Majorana particle. The
reason that Penning traps are so reliable for the
determinations of accurate decay Q-values is due to the
fact that systematic errors to a great deal cancel in
the mass difference between the two atoms defining the
Q-value. In this paper we report the most accurate
Q-values of these two beta decays namely 18589.8(12) eV
for the tritium decay, and 2038.997(46) keV for the
neutrinoless double beta-decay of 76Ge.",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:HFG,
author = "Anonymous",
title = "{HITRAP}: {A} Facility at {GSI} for Highly Charged
Ions",
chapter = "7",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "83--98",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53007-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530078",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Greiner:2008:SVE,
author = "Walter Greiner",
title = "Structure of Vacuum and Elementary Matter: From
Superheavies via Hypermatter to Antimatter-The Vacuum
Decay in Supercritical Fields",
chapter = "8",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "99--150",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53008-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760753008X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Jankowski:2008:ABM,
author = "Karol Jankowski and Romuald Slupski and Jesus R.
Flores",
title = "Asymptotic Behavior of {MP2} Correlation Energies for
Closed-Shell Atoms",
chapter = "9",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "151--175",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530091",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fritzsche:2008:CAA,
author = "Stephan Fritzsche and Brajesh K. Mani and Dilip
Angom",
title = "A Computer-Algebraic Approach to the Derivation of
{Feynman--Goldstone} Perturbation Expansions for
Open-Shell Atoms and Molecules",
chapter = "10",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "177--215",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53010-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530108",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:EHC,
author = "Anonymous",
title = "Experiments on Highly Charged Heavy Ions in
Conjunction with Exotic Atoms",
chapter = "11",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "217--235",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53011-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760753011X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Karshenboim:2008:CPP,
author = "Savely G. Karshenboim",
title = "Conceptual Problems in Phenomenological Interpretation
in Searches for Variation of Constants and Violation of
Various Invariances",
chapter = "12",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "237--252",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53012-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530121",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bigot:2008:ECH,
author = "Eric-Olivier Le Bigot and Ulrich D. Jentschura and
Svetlana Kotochigova and Peter J. Mohr and Barry N.
Taylor",
title = "Extensive Calculations of High-Precision Energy Levels
in Hydrogen and Deuterium Through a Least-Squares
Adjustment",
chapter = "13",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "253--271",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53013-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530133",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "ix--xiv",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53014-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530145",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kleppner:2008:P,
author = "Daniel Kleppner",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "53",
pages = "xvi--xix",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)53015-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607530157",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Morishita:2008:TSM,
author = "Masao Morishita and Hiroaki Yamamoto and Yasutomo
Matsumoto",
title = "Thermal Spectroscopy of Magnesium-Zinc Binary
Compounds Near Absolute Zero Kelvin: Coefficient of the
Electronic Contribution to Heat Capacity and Density of
States in the Vicinity of the {Fermi} Level",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "1--12",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00001-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000019",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kishino:2008:FPC,
author = "S. Kishino and K. Sueoka and H. Yoshida",
title = "First-Principles Calculation of Energy Band Structure
of Gallium Arsenide Crystals Using {Madelung}
Potential",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "13--21",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00002-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000020",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Yin:2008:SAF,
author = "Ri-Zhu Yin and Yang-Soo Kim and Wanuk Choi and
Sung-Soo Kim and Heejin Kim",
title = "Structural Analysis and First-Principles Calculation
of Lithium Vanadium Oxide for Advanced {Li}-Ion
Batteries",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "23--33",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00003-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000032",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ishii:2008:NTP,
author = "Tomohiko Ishii and Yukikazu Fuke and Naoko Aizawa and
Masahiro Yamashita",
title = "Novel Theoretical Prediction Method of the Haldane Gap
among the Azido-Bridged Compounds by {DV--X$\alpha$}
Molecular Orbital Calculation",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "35--46",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00004-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000044",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fukushima:2008:FPA,
author = "Kimichika Fukushima",
title = "First-Principles Analysis of the Antiferromagnetic
State",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "47--60",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00005-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000056",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Suzuki:2008:STA,
author = "Chikashi Suzuki and Toshio Nakagiri",
title = "Sulfur Trioxide Adsorption on Pt Surface",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "61--79",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00006-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000068",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kim:2008:XRA,
author = "Sung Kwan Kim and Yang-soo Kim and Kwang-soo No",
title = "{X}-Ray Absorption Near-Edge Structure and Optical
Properties of Hafnium Oxynitride Thin Films",
chapter = "7",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "81--88",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00007-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760700007X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Higashiguchi:2008:AES,
author = "Yoshitsune Higashiguchi and Hiroaki Ochiai and
Kazuyuki Igei and Kengo Ohmori and Yoshinori Hayafuji",
title = "Atomic and Electronic Structures of Boron Clusters in
Crystalline Silicon: The Case of {X@B$_6$} and
{X@B$_{12}$}, {X $=$ H--Br}",
chapter = "8",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "89--102",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00008-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000081",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ishizumi:2008:PSS,
author = "Keisuke Ishizumi and Hironori Kawanishi and Ryo Nakao
and Isao Takahashi and Hikaru Terauchi and Yoshinori
Hayafuji",
title = "Particle Size and Surface Effects on Critical
Thickness for Ferroelectricity of {BaTiO$_3$} by ab
initio Calculations",
chapter = "9",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "103--113",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00009-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000093",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2008:QMS,
author = "Erkki J. Br{\"a}ndas",
title = "Quantum Mechanics and the Special and General Theory
of Relativity",
chapter = "10",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "115--132",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00010-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760700010X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kawanishi:2008:ESA,
author = "Hironori Kawanishi and Keisuke Ishizumi and Isao
Takahashi and Hikaru Terauchi and Yoshinori Hayafuji",
title = "Electronic Structures of {ATiO$_3$} Perovskite Oxides
{(A $=$ Ba, Sr, and Pb)}: Comparative First-Principles
Study",
chapter = "11",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "133--143",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00011-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000111",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Shinzato:2008:NEC,
author = "Yoshifumi Shinzato and Hiroshi Yukawa and Masahiko
Morinaga and Takeshi Baba and Hiromi Nakai",
title = "New Expression of the Chemical Bond in Hydrides Using
Atomization Energies",
chapter = "12",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "145--160",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00012-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000123",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sugita:2008:ESB,
author = "Kazuki Sugita and Masataka Mizuno and Hideki Araki and
Yasuharu Shirai",
title = "Electronic Structure and Bonding in Amorphous
{Zr$_{67}$Ni$_{33}$} and {Zr$_{67}$Cu$_{33}$}",
chapter = "13",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "161--174",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00013-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000135",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kover:2008:LES,
author = "L. K{\"o}v{\'e}r",
title = "Local Electronic Structures from Analyzing and
Modeling High-Energy {Auger} and Photoelectron Spectra
of Solids",
chapter = "14",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "175--191",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00014-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000147",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Matsuo:2008:XRA,
author = "Shuji Matsuo and Hisanobu Wakita",
title = "{X}-Ray Absorption Spectroscopic Study on
Polymerization of Aqueous Aluminate by {DV--X$\alpha$}
Molecular-Orbital Method",
chapter = "15",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "193--207",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00015-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000159",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Muramatsu:2008:SXR,
author = "Yasuji Muramatsu",
title = "Soft {X}-Ray Absorption Spectral Analysis of Amorphous
Carbon and Carbon Black Using the {DV--X$\alpha$}
Method",
chapter = "16",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "209--218",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00016-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000160",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ueda:2008:SXR,
author = "Satoshi Ueda and Yasuji Muramatsu and Jonathan D.
Denlinger",
title = "Soft {X}-Ray Emission Spectral Analysis of Graphite
Fluoride {(CF)$_n$} Using the {DV--X$\alpha$}
Calculations",
chapter = "17",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "219--226",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00017-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000172",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sugihara:2008:FMO,
author = "Sunao Sugihara and Koujiroh Nishiyama and Yuka
Igarashi and Kentaroh Morikawa",
title = "Functions of Metal Oxide for Thermoelectric Materials
and Electronic Structures",
chapter = "18",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "227--243",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00018-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000184",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Shinzato:2008:CCB,
author = "Yoshifumi Shinzato and Kenji Komiya and Yoshitaka
Takahashi and Hiroshi Yukawa and Masahiko Morinaga and
Shinichi Orimo",
title = "Characteristics of Chemical Bond in Perovskite-Type
Hydrides",
chapter = "19",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "245--253",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00019-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000196",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kowada:2008:CBM,
author = "Y. Kowada and M. Tatsumisago and T. Minami and H.
Adachi",
title = "Chemical Bonding of Mobile Cations in Superionic
Conductors",
chapter = "20",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "255--270",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00020-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000202",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pu:2008:AHL,
author = "Liang Pu and Qing Wang and Yong Zhang and Qiang Miao
and Yang-soo Kim and Zhibing Zhang",
title = "Architecture of Hydrates and Local Structure of Acetic
Acid Aqueous Solution: Ab Initio Calculations and
{Car--Parrinello} Molecular Dynamics ({CPMD})
Simulations on Hydrogen-Bonding Rings, Network, and
Intra-Hydrate Protonation in Multi-Hydrates of Acetic
Acid Monomer",
chapter = "21",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "271--295",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00021-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000214",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ogasawara:2008:CSF,
author = "Kazuyoshi Ogasawara and Shinta Watanabe",
title = "Current Situation and Future Development of Discrete
Variational Multielectron Method",
chapter = "22",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "297--314",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00022-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000226",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kurisaki:2008:ELU,
author = "Tsutomu Kurisaki and Yuichi Nakazono and Shuji Matsuo
and Rupert C. C. Perera and James H. Underwood and
Hisanobu Wakita",
title = "Evaluation of Laboratory Ultra-Soft {X}-Ray Absorption
Spectrometer by {Li}-{K} {XANES} Measurements and Their
{DV--X$\alpha$} Calculations",
chapter = "23",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "315--323",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00023-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000238",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kinoshita:2008:ICE,
author = "Yusuke Kinoshita and Takayuki Noguchi and Takeshi
Inoue and Takumi Tomita and Yoshinori Hayafuji",
title = "Ab Initio Calculation of the Electronic Structure of
{ZnO} with an Impurity from {Li} to {Bi}",
chapter = "24",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "325--339",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00024-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760700024X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Fukushima:2008:FPI,
author = "Kimichika Fukushima",
title = "First-Principles Investigation of Dimethyl Ether Steam
Reforming",
chapter = "25",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "341--359",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00025-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000251",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:SI,
author = "Anonymous",
title = "Subject Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "361--363",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00029-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000299",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:Cc,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "xi--xvii",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00028-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000287",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:CPa,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "iv--iv",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00033-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000330",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "??--??",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00031-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000317",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:F,
author = "Anonymous",
title = "Foreword",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "xix--xx",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00026-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000263",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:P,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "54",
pages = "xxi--xxviii",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00027-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000275",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Johnson:2008:ATM,
author = "Matthew S. Johnson and Michael E. Goodsite",
title = "Applications of Theoretical Methods to Atmospheric
Science",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "1--4",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00201-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002018",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Marcus:2008:MIO,
author = "R. A. Marcus",
title = "Mass-Independent Oxygen Isotope Fractionation in
Selected Systems. Mechanistic Considerations",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "5--19",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00202-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760700202X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandao:2008:IWS,
author = "Jo{\~a}o Brand{\~a}o and Carolina M. A. Rio and Wenli
Wang",
title = "An Important Well Studied Atmospheric Reaction,
{O($^1$D) $+$ H$_2$}",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "21--41",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00203-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Wed Nov 16 14:57:03 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002031",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ariya:2008:GEM,
author = "Parisa A. Ariya and Henrik Skov and Mette M.-L. Grage
and Michael Evan Goodsite",
title = "Gaseous Elemental Mercury in the Ambient Atmosphere:
Review of the Application of Theoretical Calculations
and Experimental Studies for Determination of Reaction
Coefficients and Mechanisms with Halogens and Other
Reactants",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "43--55",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00204-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002043",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lyons:2008:PLL,
author = "James R. Lyons",
title = "Photolysis of Long-Lived Predissociative Molecules as
a Source of Mass-Independent Isotope Fractionation: The
Example of {SO$_2$}",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "57--74",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00205-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002055",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Jost:2008:NML,
author = "R. Jost",
title = "{A} New Model of Low Resolution Absorption Cross
Section",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "75--100",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00206-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002067",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Jorgensen:2008:IEP,
author = "Solvejg J{\o}rgensen and Mette M.-L. Grage and Gunnar
Nyman and Matthew S. Johnson",
title = "Isotope Effects in Photodissociation: Chemical
Reaction Dynamics and Implications for Atmospheres",
chapter = "7",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "101--135",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00207-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002079",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kjaergaard:2008:APS,
author = "Henrik G. Kjaergaard and Joseph R. Lane and Anna L.
Garden and Daniel P. Schofield and Timothy W. Robinson
and Michael J. Mills",
title = "Atmospheric Photolysis of Sulfuric Acid",
chapter = "8",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "137--158",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00208-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002080",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Marshall:2008:CST,
author = "Paul Marshall",
title = "Computational Studies of the Thermochemistry of the
Atmospheric Iodine Reservoirs {HOI} and {IONO$_2$}",
chapter = "9",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "159--175",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00209-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002092",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Zhao:2008:TIA,
author = "Jun Zhao and Renyi Zhang",
title = "Theoretical Investigation of Atmospheric Oxidation of
Biogenic Hydrocarbons: {A} Critical Review",
chapter = "10",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "177--213",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00210-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002109",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Rosado-Reyes:2008:CSR,
author = "Claudette M. Rosado-Reyes and M{\'o}nica
Mart{\'\i}nez-Avil{\'e}s and Joseph S. Francisco",
title = "Computational Study of the Reaction of
$n$-Bromopropane with {OH} Radicals and {Cl} Atoms",
chapter = "11",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "215--244",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00211-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002110",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Galano:2008:ARO,
author = "Annia Galano and J. Ra{\'u}l Alvarez-Idaboy",
title = "Atmospheric Reactions of Oxygenated Volatile Organic
Compounds $+$ {OH} Radicals: Role of Hydrogen-Bonded
Intermediates and Transition States",
chapter = "12",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "245--274",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00212-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002122",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ryzhkov:2008:TES,
author = "A. Ryzhkov and P. A. Ariya and F. Raofie and H. Niki
and G. W. Harris",
title = "Theoretical and Experimental Studies of the Gas-Phase
Cl-Atom Initiated Reactions of Benzene and Toluene",
chapter = "13",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "275--295",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00213-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002134",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Andino:2008:TCA,
author = "Jean M. Andino and Annik Vivier-Bunge",
title = "Tropospheric Chemistry of Aromatic Compounds Emitted
from Anthropogenic Sources",
chapter = "14",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "297--310",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00214-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002146",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Maciel:2008:EPA,
author = "Glauciete S. Maciel and David Cappelletti and Gaia
Grossi and Fernando Pirani and Vincenzo Aquilanti",
title = "Elementary Processes in Atmospheric Chemistry: Quantum
Studies of Intermolecular Dimer Formation and
Intramolecular Dynamics",
chapter = "15",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "311--332",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00215-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002158",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Iyengar:2008:SDA,
author = "Srinivasan S. Iyengar and Xiaohu Li and Isaiah
Sumner",
title = "The Study of Dynamically Averaged Vibrational
Spectroscopy of Atmospherically Relevant Clusters Using
Ab Initio Molecular Dynamics in Conjunction with
Quantum Wavepackets",
chapter = "16",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "333--353",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00216-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760700216X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Gross:2008:MD,
author = "Allan Gross and Ole John Nielsen and Kurt V.
Mikkelsen",
title = "From Molecules to Droplets",
chapter = "17",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "355--385",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00217-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002171",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bianco:2008:TSD,
author = "Roberto Bianco and Shuzhi Wang and James T. Hynes",
title = "Theoretical Studies of the Dissociation of Sulfuric
Acid and Nitric Acid at Model Aqueous Surfaces",
chapter = "18",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "387--405",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00218-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002183",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kurten:2008:IAS,
author = "Theo Kurt{\'e}n and Hanna Vehkam{\"a}ki",
title = "Investigating Atmospheric Sulfuric Acid-Water-Ammonia
Particle Formation Using Quantum Chemistry",
chapter = "19",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "407--427",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00219-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002195",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kathmann:2008:IMI,
author = "Shawn M. Kathmann and Gregory K. Schenter and Bruce C.
Garrett",
title = "The Impact of Molecular Interactions on Atmospheric
Aerosol Radiative Forcing",
chapter = "20",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "429--447",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00220-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002201",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nadykto:2008:CQC,
author = "Alexey B. Nadykto and Anas Al Natsheh and Fangqun Yu
and Kurt V. Mikkelsen and Jason Herb",
title = "Computational Quantum Chemistry: {A} New Approach to
Atmospheric Nucleation",
chapter = "21",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "449--478",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00221-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002213",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:Cb,
author = "Anonymous",
title = "Contents",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "v--x",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00225-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002250",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "xi--xvi",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00223-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002237",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "iv--iv",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00227-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002274",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:SE,
author = "Anonymous",
title = "Series Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "??--??",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00226-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002262",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2008:VE,
author = "Anonymous",
title = "Volume Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "55",
pages = "??--??",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00228-6",
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bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327607002286",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Liu:2009:MSO,
author = "Ya-Jun Liu and Wei-Hai Fang",
title = "Multireference and Spin-Orbit Calculations on
Photodissociations of Hydrocarbon Halides",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "1--29",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00401-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004012",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tapia:2009:QLS,
author = "O. Tapia",
title = "Quantum Linear Superposition Theory for Chemical
Processes: {A} Generalized Electronic Diabatic
Approach",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "31--93",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00402-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004024",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Dz:2009:ESN,
author = "Dz and evad Belki{\'c}",
title = "Exact Signal-Noise Separation by Froissart Doublets in
Fast Pad{\'e} Transform for Magnetic Resonance
Spectroscopy",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "95--179",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00403-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004036",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nooijen:2009:RFD,
author = "Marcel Nooijen",
title = "Reflections on Formal Density Functional Theory",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "181--216",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00404-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004048",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nalewajski:2009:MLD,
author = "Roman F. Nalewajski",
title = "Multiple, Localized, and Delocalized/Conjugated Bonds
in the Orbital Communication Theory of Molecular
Systems",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "217--250",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00405-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760800405X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Belkic:2009:QMM,
author = "D{\v{z}}evad Belki{\'c}",
title = "Quantum Mechanical Methods for Loss-Excitation and
Loss-Ionization in Fast Ion-Atom Collisions",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "251--321",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00406-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004061",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:Ca,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "xi--xi",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00411-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004115",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:CPa,
author = "Anonymous",
title = "Copyright Page",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "iv--iv",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00409-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004097",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:SE,
author = "Anonymous",
title = "Series Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "??--??",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00407-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004073",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:VE,
author = "Anonymous",
title = "Volume Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "??--??",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00408-5",
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bibdate = "Thu Oct 13 11:45:05 MDT 2011",
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004085",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sabin:2009:P,
author = "John R. Sabin and Erkki Br{\"a}ndas",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "56",
pages = "ix--ix",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)00410-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327608004103",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Patil:2009:PCH,
author = "S. H. Patil and Y. P. Varshni",
title = "Properties of Confined Hydrogen and Helium Atoms",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "1--24",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00605-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006054",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sen:2009:ERC,
author = "K. D. Sen and V. I. Pupyshev and H. E. {Montgomery,
Jr.}",
title = "Exact Relations for Confined One-Electron Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "25--77",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00606-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006066",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Ley-Koo:2009:HAC,
author = "Eugenio Ley-Koo",
title = "The Hydrogen Atom Confined in Semi-infinite Spaces
Limited by Conoidal Boundaries",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "79--122",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00607-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006078",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Aquino:2009:HHA,
author = "N. Aquino",
title = "The Hydrogen and Helium Atoms Confined in Spherical
Boxes",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "123--171",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00608-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760900608X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Burrows:2009:ESC,
author = "B. L. Burrows and M. Cohen",
title = "Exact Solutions for Confined Model Systems Using
{Kummer} Functions",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "173--201",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00609-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006091",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Laughlin:2009:PTH,
author = "Cecil Laughlin",
title = "Perturbation Theory for a Hydrogen-like Atom Confined
Within an Impenetrable Spherical Cavity",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "203--239",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00610-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006108",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Garza:2009:CSB,
author = "Jorge Garza and Rubicelia Vargas",
title = "Comparative Study Between the {Hartree--Fock} and
{Kohn--Sham} Models for the Lowest Singlet and Triplet
States of the Confined Helium Atom",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "241--254",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00611-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532760900611X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cruz:2009:TFD,
author = "Salvador A. Cruz",
title = "{Thomas--Fermi--Dirac-Weizs{\"a}cker} Density
Functional Formalism Applied to the Study of
Many-electron Atom Confinement by Open and Closed
Boundaries",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "255--283",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00612-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006121",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Bader:2009:CAT,
author = "Richard F. W. Bader",
title = "Confined Atoms Treated as Open Quantum Systems",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "285--318",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00613-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006133",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "xi--xii",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00604-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006042",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:CPb,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "iv--iv",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00602-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006029",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:EBa,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "??--??",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00601-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006017",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cruz:2009:Pa,
author = "Salvador A. Cruz",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "57",
pages = "ix--ix",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00603-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609006030",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Guerra:2009:MPE,
author = "Doris Guerra and Rubicelia Vargas and Patricio
Fuentealba and Jorge Garza",
title = "Modeling Pressure Effects on the Electronic Properties
of {Ca}, {Sr}, and {Ba} by the Confined Atoms Model",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "1--12",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00705-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007059",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Dolmatov:2009:PAE,
author = "V. K. Dolmatov",
title = "Photoionization of Atoms Encaged in Spherical
Fullerenes",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "13--68",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00706-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007060",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Charkin:2009:DSM,
author = "O. P. Charkin and N. M. Klimenko and D. O. Charkin",
title = "{DFT} Study of Molecules Confined Inside Fullerene and
Fullerene-like Cages",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "69--114",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00707-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007072",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sil:2009:SCA,
author = "A. N. Sil and S. Canuto and P. K. Mukherjee",
title = "Spectroscopy of Confined Atomic Systems: Effect of
Plasma",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "115--175",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00708-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007084",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sako:2009:ELS,
author = "Tokuei Sako and Josef Paldus and Geerd H. F.
Diercksen",
title = "The Energy Level Structure of Low-dimensional
Multi-electron Quantum Dots",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "177--201",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00709-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007096",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Degoli:2009:EQC,
author = "Elena Degoli and Stefano Ossicini",
title = "Engineering Quantum Confined Silicon Nanostructures:
Ab-Initio Study of the Structural, Electronic and
Optical Properties",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "203--279",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00710-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007102",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:Cc,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "ix--x",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00704-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007047",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:CPc,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "iv--iv",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00702-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007023",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2009:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "??--??",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00701-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007011",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Cruz:2009:Pb,
author = "Salvador A. Cruz",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "58",
pages = "vii--vii",
year = "2009",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(09)00703-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327609007035",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tu:2010:IQM,
author = "Yaoquan Tu and Aatto Laaksonen",
title = "Implementing Quantum Mechanics into Molecular
Mechanics: Combined {QM}/{MM} Modeling Methods",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "1--15",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59001-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590014",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Barone:2010:ERC,
author = "Vincenzo Barone and Malgorzata Biczysko and Giuseppe
Brancato",
title = "Extending the Range of Computational Spectroscopy by
{QM}/{MM} Approaches: Time-Dependent and
Time-Independent Routes",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "17--57",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59002-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590026",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Galvan:2010:UAS,
author = "Ignacio Fdez. Galv{\'a}n and Aurora Mu{\~n}oz-Losa and
Catalina Soriano-Correa and M. Luz S{\'a}nchez and M.
Elena Mart{\'\i}n and Manuel A. Aguilar",
title = "Use of the Average Solvent Potential Approach in the
Study of Solvent Effects",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "59--97",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59003-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590038",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mata:2010:QMA,
author = "Ricardo A. Mata and B. J. Costa Cabral",
title = "{QM}/{MM} Approaches to the Electronic Spectra of
Hydrogen-Bonding Systems with Connection to Many-Body
Decomposition Schemes",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "99--144",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59004-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532761059004X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{deLima:2010:MDP,
author = "Guilherme Ferreira de Lima and Thomas Heine and
H{\'e}lio Anderson Duarte",
title = "Molecular Dynamics of Polypeptides and Their Inclusion
Compounds with $\beta$-Cyclodextrin in Aqueous Solution
Using {DC--SCC--DFTB\slash UFF} Approach",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "145--180",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59005-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590051",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Groenhof:2010:CSP,
author = "Gerrit Groenhof and Martial Boggio-Pasqua and Lars V.
Sch{\"a}fer and Michael A. Robb",
title = "Computer Simulations of Photobiological Processes: The
Effect of the Protein Environment",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "181--212",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59006-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590063",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Hofer:2010:IQM,
author = "Thomas S. Hofer and Andreas B. Pribil and Bernhard R.
Randolf and Bernd M. Rode",
title = "Ab Initio Quantum Mechanical Charge Field Molecular
Dynamics: {A} Nonparametrized First-Principle Approach
to Liquids and Solutions",
chapter = "7",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "213--246",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59007-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590075",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Pierdominici-Sottile:2010:AMQ,
author = "Gustavo Pierdominici-Sottile and Sebasti{\'a}n
Fern{\'a}ndez Alberti and Juliana Palma",
title = "Applications of Mixed-Quantum/Classical Trajectories
to the Study of Nuclear Quantum Effects in Chemical
Reactions and Vibrational Relaxation Processes",
chapter = "8",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "247--282",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59008-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590087",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Takahashi:2010:DQC,
author = "Hideaki Takahashi and Nobuyuki Matubayasi and
Masayoshi Nakano",
title = "Development of a Quantum Chemical Method Combined with
a Theory of Solutions: Free-Energy Calculation for
Chemical Reactions by Condensed Phase Simulations",
chapter = "9",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "283--351",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59009-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590099",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Zhang:2010:GQM,
author = "Rui Zhang and Bogdan Lev and Javier Eduardo Cuervo and
Sergei Yu Noskov and Dennis R. Salahub",
title = "A Guide to {QM}/{MM} Methodology and Applications",
chapter = "10",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "353--400",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59010-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590105",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:Ca,
author = "Anonymous",
title = "Copyright",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "iv--iv",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59013-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590130",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "xiii--xvi",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59015-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590154",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:EBa,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "??--??",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59011-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590117",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:VEa,
author = "Anonymous",
title = "Volume Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "??--??",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59012-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590129",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Canuto:2010:P,
author = "Sylvio Canuto",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "59",
pages = "ix--xi",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)59014-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610590142",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Paidarova:2010:USQ,
author = "Ivana Paidarov{\'a} and Philippe Durand",
title = "Unstable States: From Quantum Mechanics to Statistical
Physics",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "1--49",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60001-9",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600019",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Atabek:2010:USL,
author = "O. Atabek and R. Lefebvre and T. T. Nguyen-Dang",
title = "Unstable States in Laser Assisted and Controlled
Molecular Processes",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "51--104",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60002-0",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600020",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Thanopulos:2010:CEL,
author = "Ioannis Thanopulos and Moshe Shapiro",
title = "Coherence Effects in Laser-Induced Continuum
Structure",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "105--161",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60003-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600032",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nicolaides:2010:TSS,
author = "Cleanthes A. Nicolaides",
title = "Theory and State-Specific Methods for the Analysis and
Computation of Field-Free and Field-Induced Unstable
States in Atoms and Molecules",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "163--267",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60004-4",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600044",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Goussev:2010:QTR,
author = "Arseni Goussev and Roman Schubert and Holger Waalkens
and Stephen Wiggins",
title = "Quantum Theory of Reactive Scattering in Phase Space",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "269--332",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60005-6",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600056",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mercouris:2010:SSE,
author = "Theodoros Mercouris and Yannis Komninos and Cleanthes
A. Nicolaides",
title = "The State-Specific Expansion Approach to the Solution
of the Polyelectronic Time-Dependent Schr{\"o}dinger
Equation for Atoms and Molecules in Unstable States",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "333--405",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60006-8",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600068",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Garcia-Calderon:2010:TRS,
author = "Gast{\'o}n Garc{\'\i}a-Calder{\'o}n",
title = "Theory of Resonant States: An Exact Analytical
Approach for Open Quantum Systems",
chapter = "7",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "407--455",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60007-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S006532761060007X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Stobinska:2010:QEO,
author = "M. Stobi{\'n}ska and G. Alber and G. Leuchs",
title = "Quantum Electrodynamics of One-Photon Wave Packets",
chapter = "8",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "457--483",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60008-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600081",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Torrontegui:2010:QDL,
author = "E. Torrontegui and J. G. Muga and J. Martorell and D.
W. L. Sprung",
title = "Quantum Decay at Long Times",
chapter = "9",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "485--535",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60009-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600093",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:Cc,
author = "Anonymous",
title = "Copyright",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "iv--iv",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60012-3",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600123",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "xi--xiii",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60014-7",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600147",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:EBb,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "??--??",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60010-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/S006532761060010X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2010:VEb,
author = "Anonymous",
title = "Volume Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "??--??",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60011-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600111",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nicolaides:2010:P,
author = "Cleanthes A. Nicolaides and Erkki J. Br{\"a}ndas",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "60",
pages = "ix--x",
year = "2010",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(10)60013-5",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/S0065327610600135",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nalewajski:2011:BDO,
author = "Roman F. Nalewajski and Dariusz Szczepanik and Janusz
Mrozek",
title = "Bond Differentiation and Orbital Decoupling in the
Orbital-Communication Theory of the Chemical Bond",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "1--48",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00001-2",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000012",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Tapia:2011:QSQ,
author = "O. Tapia",
title = "Quantum States for Quantum Measurements",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "49--106",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00002-4",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000024",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Olsen:2011:MPT,
author = "J{\'o}gvan Magnus Haugaard Olsen and Jacob Kongsted",
title = "Molecular Properties through Polarizable Embedding",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "107--143",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00003-6",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000036",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Belkic:2011:PAT,
author = "D{\v{z}}evad Belki{\'c}",
title = "Parametric Analysis of Time Signals and Spectra from
Perspectives of Quantum Physics and Chemistry",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "145--260",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00004-8",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000048",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Kolesov:2011:QCE,
author = "Grigory Kolesov and Yuri Dahnovsky",
title = "Quantum Correlation Effects in Electron Dynamics in
Molecular Wires and Solar Cells: The Nonequilibrium
{Green}'s Function Approach",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "261--315",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00005-X",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B978012386013200005X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Haque:2011:EII,
author = "A. K. Fazlul Haque and M. Alfaz Uddin and M. Shahjahan
and M. Rashid Talukder and Arun K. Basak and Bidhan C.
Saha",
title = "Electron Impact Inner-Shell Ionization of Atoms",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "317--380",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00006-1",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000061",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Ca,
author = "Anonymous",
title = "Copyright",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "iv--iv",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00009-7",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000097",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Cb,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "xiii--xiv",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00011-5",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000115",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Ea,
author = "Anonymous",
title = "Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "??--??",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00007-3",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000073",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Pa,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "61",
pages = "ix--xi",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00014-0",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123860132000140",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Salam:2011:MQE,
author = "A. Salam",
title = "Molecular Quantum Electrodynamics of Radiation-Induced
Intermolecular Forces",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "1--34",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00001-2",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000012",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Nicolaides:2011:SPS,
author = "Cleanthes A. Nicolaides",
title = "State- and Property-Specific Quantum Chemistry",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "35--103",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00008-5",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000085",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Zakrzewski:2011:IEP,
author = "Viatcheslav G. Zakrzewski and Olga Dolgounitcheva and
Alexander V. Zakjevskii and J. V. Ortiz",
title = "Ab initio Electron Propagator Calculations on Electron
Detachment Energies of Fullerenes, Macrocyclic
Molecules, and Nucleotide Fragments",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "105--136",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00009-7",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000097",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Mendez-Fragoso:2011:RAM,
author = "Ricardo M{\'e}ndez-Fragoso and Eugenio Ley-Koo",
title = "Rotations of Asymmetric Molecules and the Hydrogen
Atom in Free and Confined Configurations",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "137--213",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00004-8",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000048",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Sauer:2011:MEE,
author = "Stephan P. A. Sauer and Jens Oddershede and John R.
Sabin",
title = "Mean Excitation Energies for Biomolecules: Glycine to
{DNA}",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "215--242",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00011-5",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000115",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Belkic:2011:HRS,
author = "D{\v{z}}evad Belki{\'c} and Karen Belki{\'c}",
title = "High-Resolution Signal Processing in Magnetic
Resonance Spectroscopy for Early Cancer Diagnostics",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "243--347",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00006-1",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000061",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Cc,
author = "Anonymous",
title = "Copyright",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "iv--iv",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00018-8",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000188",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Cd,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "xiii--xiv",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386013-2.00019-X",
ISBN = "0-12-386013-X",
ISBN-13 = "978-0-12-386013-2",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B978012386013200019X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "??--??",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00017-6",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000176",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Ec,
author = "Anonymous",
title = "Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "??--??",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00016-4",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000164",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2011:Pb,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "62",
pages = "ix--xi",
year = "2011",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-386477-2.00010-3",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123864772000103",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Klaiman:2012:RFG,
author = "Shachar Klaiman and Ido Gilary",
title = "On Resonance: a First Glance into the Behavior of
Unstable States",
chapter = "1",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "1--31",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00001-1",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000011",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Brandas:2012:ELP,
author = "Erkki J. Br{\"a}ndas",
title = "Examining the Limits of Physical Theory: Analytical
Principles and Logical Implications",
chapter = "2",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "33--117",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00002-3",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000023",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Skodje:2012:RBC,
author = "Rex T. Skodje",
title = "Resonances in Bimolecular Chemical Reactions",
chapter = "3",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "119--163",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00003-5",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000035",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Shimamura:2012:QBS,
author = "Isao Shimamura",
title = "Quasi-Bound States of Electronic and Positronic
Few-Body Systems: Analysis of Multichannel Scattering
Information",
chapter = "4",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "165--245",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00004-7",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000047",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Lindroth:2012:ARS,
author = "Eva Lindroth and Luca Argenti",
title = "Atomic Resonance States and Their Role in
Charge-Changing Processes",
chapter = "5",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "247--308",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00005-9",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000059",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Averbukh:2012:EDM,
author = "Vitali Averbukh and Premysl Kolorenc",
title = "Electronic Decay in Multiply Charged Polyatomic
Systems",
chapter = "6",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "309--342",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00006-0",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000060",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:I,
author = "Anonymous",
title = "Index",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "343--348",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00007-2",
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ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000072",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:C,
author = "Anonymous",
title = "Contributors",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "ix--ix",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00017-5",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000175",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:CP,
author = "Anonymous",
title = "Copyright page",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "iv--iv",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00015-1",
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bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000151",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:EB,
author = "Anonymous",
title = "Editorial Board",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "??--??",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00014-X",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B978012397009100014X",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:P,
author = "Anonymous",
title = "Preface",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "vii--viii",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00016-3",
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ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000163",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
@Article{Anonymous:2012:SE,
author = "Anonymous",
title = "Special Editors",
journal = j-ADV-QUANTUM-CHEM,
volume = "63",
pages = "??--??",
year = "2012",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/B978-0-12-397009-1.00013-8",
ISBN = "0-12-397009-1",
ISBN-13 = "978-0-12-397009-1",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Mon Feb 20 07:59:32 MST 2012",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
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URL = "http://www.sciencedirect.com/science/article/pii/B9780123970091000138",
acknowledgement = ack-nhfb,
ajournal = "Adv. Quantum Chem.",
fjournal = "Advances in Quantum Chemistry",
}
%%% ====================================================================
%%% Cross-referenced and proceedings entries must come last:
@Book{Lowdin:1964:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "1",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xi + 385",
year = "1964",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60369-X",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.1",
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acknowledgement = ack-nhfb,
bookpages = "xi + 385",
remark = "First in a series of almost yearly volumes, with
multiple volumes in some years. Volume 38 appeared in
2000.",
}
@Book{Lowdin:1965:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "2",
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address = pub-ACADEMIC:adr,
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@Book{Lowdin:1967:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "3",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xiv + 392",
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acknowledgement = ack-nhfb,
bookpages = "xiv + 392",
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@Book{Lowdin:1968:AQC,
editor = "Per-Olov L{\"o}wdin",
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title = "Advances in Quantum Chemistry",
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address = pub-ACADEMIC:adr,
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acknowledgement = ack-nhfb,
bookpages = "xiv + 334",
}
@Book{Lowdin:1970:AQC,
editor = "Per-Olov L{\"o}wdin",
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title = "Advances in Quantum Chemistry",
volume = "5",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xv + 303",
year = "1970",
CODEN = "AQCHA9",
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ISSN = "0065-3276",
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bookpages = "xv + 303",
}
@Book{Lowdin:1972:AQC,
editor = "Per-Olov L{\"o}wdin",
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title = "Advances in Quantum Chemistry",
volume = "6",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 413",
year = "1972",
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ISSN = "0065-3276",
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acknowledgement = ack-nhfb,
bookpages = "xvi + 413",
}
@Book{Lowdin:1973:AQC,
editor = "Per-Olov L{\"o}wdin",
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title = "Advances in Quantum Chemistry",
volume = "7",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 457",
year = "1973",
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ISSN = "0065-3276",
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@Book{Lowdin:1974:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "8",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvii + 291",
year = "1974",
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@Book{Lowdin:1975:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "9",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 304",
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@Book{Lowdin:1977:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "10",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
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year = "1977",
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bookpages = "xii + 338",
}
@Book{Lowdin:1978:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "11",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xii + 487",
year = "1978",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60228-2",
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acknowledgement = ack-nhfb,
bookpages = "xii + 487",
}
@Book{Lowdin:1980:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "12",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 325",
year = "1980",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60308-1",
ISBN = "0-12-034812-8 (hardcover)",
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ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.12",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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URL = "http://www.sciencedirect.com/science/book/9780120348121;
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acknowledgement = ack-nhfb,
bookpages = "x + 325",
}
@Book{Lowdin:1981:AQCa,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "13",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 251",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60287-7",
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ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.13",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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acknowledgement = ack-nhfb,
bookpages = "x + 251",
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@Book{Lowdin:1981:AQCb,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "14",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 248",
year = "1981",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60321-4",
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ISBN-13 = "978-0-12-034814-5 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.14",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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acknowledgement = ack-nhfb,
bookpages = "x + 248",
}
@Book{Lowdin:1982:AQCa,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "15",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 277",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60117-3",
ISBN = "0-12-034815-2 (hardcover)",
ISBN-13 = "978-0-12-034815-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.15",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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URL = "http://www.sciencedirect.com/science/book/9780120348152;
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acknowledgement = ack-nhfb,
bookpages = "x + 277",
}
@Book{Lowdin:1982:AQCb,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "16",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 285",
year = "1982",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60346-9",
ISBN = "0-12-034816-0 (hardcover)",
ISBN-13 = "978-0-12-034816-9 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.16",
bibdate = "Thu Nov 16 17:18:28 2000",
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URL = "http://www.sciencedirect.com/science/book/9780120348169;
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acknowledgement = ack-nhfb,
bookpages = "x + 285",
}
@Book{Lowdin:1985:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "17",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 344",
year = "1985",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60297-X",
ISBN = "0-12-034817-9 (hardcover)",
ISBN-13 = "978-0-12-034817-6 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.17",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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acknowledgement = ack-nhfb,
bookpages = "x + 344",
}
@Book{Lowdin:1986:AQC,
editor = "Per-Olov L{\"o}wdin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "18",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "viii + 350",
year = "1986",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60044-1",
ISBN = "0-12-034818-7 (hardcover)",
ISBN-13 = "978-0-12-034818-3 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.18",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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URL = "http://www.sciencedirect.com/science/book/9780120348183;
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acknowledgement = ack-nhfb,
bookpages = "viii + 350",
}
@Book{Lowdin:1988:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "19",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xii + 365",
year = "1988",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60608-5",
ISBN = "0-12-034819-5 (hardcover)",
ISBN-13 = "978-0-12-034819-0 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.19",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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URL = "http://www.sciencedirect.com/science/book/9780120348190;
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acknowledgement = ack-nhfb,
bookpages = "xii + 365",
}
@Book{Lowdin:1989:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "20",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xiii + 453",
year = "1989",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60621-8",
ISBN = "0-12-034820-9 (hardcover)",
ISBN-13 = "978-0-12-034820-6 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.20",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348206;
http://www.sciencedirect.com/science/article/pii/S0065327608606218",
acknowledgement = ack-nhfb,
bookpages = "xiii + 453",
}
@Book{Lowdin:1990:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Samuel B. Trickey",
booktitle = "Advances in Quantum Chemistry: Density functional
theory of many-fermion systems",
title = "Advances in Quantum Chemistry: Density functional
theory of many-fermion systems",
volume = "21",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xii + 405",
year = "1990",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60585-7",
ISBN = "0-12-034821-7 (hardcover)",
ISBN-13 = "978-0-12-034821-3 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.21",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
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URL = "http://www.sciencedirect.com/science/book/9780120348213;
http://www.sciencedirect.com/science/article/pii/S0065327608605857",
acknowledgement = ack-nhfb,
annote-1 = "This is the first volume in the series to carry a
subtitle on the cover page, although it is not on the
book spine.",
annote-2 = "Special Editor: Samuel B. Trickey.",
bookpages = "xii + 405",
}
@Book{Lowdin:1991:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "22",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 385",
year = "1991",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60357-3",
ISBN = "0-12-034822-5 (hardcover)",
ISBN-13 = "978-0-12-034822-0 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.22",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348220;
http://www.sciencedirect.com/science/article/pii/S0065327608603573",
acknowledgement = ack-nhfb,
bookpages = "x + 385",
}
@Book{Lowdin:1992:AQCa,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "23",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 363",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60024-6",
ISBN = "0-12-034823-3 (hardcover)",
ISBN-13 = "978-0-12-034823-7 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.23",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348237;
http://www.sciencedirect.com/science/article/pii/S0065327608600246",
acknowledgement = ack-nhfb,
bookpages = "x + 363",
}
@Book{Lowdin:1992:AQCb,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "24",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 298",
year = "1992",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60096-9",
ISBN = "0-12-034824-1 (hardcover)",
ISBN-13 = "978-0-12-034824-4 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.24",
bibdate = "Tue Dec 26 12:40:24 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC WorldCat database",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348244;
http://www.sciencedirect.com/science/article/pii/S0065327608600969",
acknowledgement = ack-nhfb,
bookpages = "x + 298",
}
@Book{Lowdin:1994:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "25",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 320",
year = "1994",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60013-1",
ISBN = "0-12-034825-X (hardcover)",
ISBN-13 = "978-0-12-034825-1 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.25",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348251;
http://www.sciencedirect.com/science/article/pii/S0065327608600131",
acknowledgement = ack-nhfb,
bookpages = "x + 320",
}
@Book{Lowdin:1995:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "26",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 367",
year = "1995",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60106-9",
ISBN = "0-12-034826-8 (hardcover)",
ISBN-13 = "978-0-12-034826-8 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.26",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348268;
http://www.sciencedirect.com/science/article/pii/S0065327608601069",
acknowledgement = ack-nhfb,
bookpages = "x + 367",
}
@Book{Lowdin:1996:AQC,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "27",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xii + 407",
year = "1996",
CODEN = "AQCHA9",
ISBN = "0-12-034827-6 (hardcover)",
ISBN-13 = "978-0-12-034827-5 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.27",
bibdate = "Tue Dec 05 07:12:54 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC WorldCat database",
price = "US\$126.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348275;
http://www.sciencedirect.com/science/article/pii/S0065327608602452;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348276&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/",
acknowledgement = ack-nhfb,
bookpages = "xii + 407",
}
@Book{Lowdin:1997:AQCa,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Jacek Karwowski and Mati Karelson",
booktitle = "Advances in Quantum Chemistry: Recent advances in
computational chemistry",
title = "Advances in Quantum Chemistry: Recent advances in
computational chemistry",
volume = "28",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xix + 370",
year = "1997",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60197-5",
ISBN = "0-12-034828-4 (hardcover)",
ISBN-13 = "978-0-12-034828-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.28",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
note = "Papers written to honor Geerd H. F. Diercksen on his
60th birthday. Most of the papers were presented at the
symposium Recent Advances in Computational Chemistry
(Munich, 20--30 March 1996).",
price = "US\$139.95",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348282;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348284&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608601975",
acknowledgement = ack-nhfb,
annote-1 = "First volume in series to carry a subtitle on the
spine, as well as on the cover page.",
annote-2 = "Guest editors: J. Karwowski and M. Karelson.",
bookpages = "xix + 370",
}
@Book{Lowdin:1997:AQCb,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and Laszlo K{\"o}v{\'e}r
and Jun Kawai and Hirohiko Adachi",
booktitle = "Advances in Quantum Chemistry: Electronic structure of
clusters",
title = "Advances in Quantum Chemistry: Electronic structure of
clusters",
volume = "29",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 471",
year = "1997",
CODEN = "AQCHA9",
ISBN = "0-12-034829-2 (hardcover)",
ISBN-13 = "978-0-12-034829-9 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.29",
bibdate = "Sat Dec 30 14:27:18 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/article/pii/S0065327608602580;
OCLC WorldCat database",
note = "This volume includes the papers presented at the first
International Workshop on DV-X Methods. DVA-X '96 took
place in the ATOMKI, Debrecen, Hungary, on 2--3
September 1996.",
price = "US\$110.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348299;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348292&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/",
acknowledgement = ack-nhfb,
bookpages = "xvi + 471",
remark = "Guest editors: L. Lover, J. Kawai, and H. Adachi.",
}
@Book{Hanstorp:1998:AQC,
editor = "Dag Hanstorp and Hans Persson and Ingvar Lindgren",
booktitle = "Advances in Quantum Chemistry: Modern trends in atomic
physics",
title = "Advances in Quantum Chemistry: Modern trends in atomic
physics",
volume = "30",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xiii + 506",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60495-5",
ISBN = "0-12-034830-6 (hardcover)",
ISBN-13 = "978-0-12-034830-5 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.30",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276;
OCLC WorldCat database",
note = "The symposium Modern Trends in Atomic Physics was held
on May 24--25, 1995, at the Hjortviken Conference
Centre just outside G{\"o}teborg in Sweden. It was
organized in honor of professor Ingvar Lindgren on the
occasion of his 65th birthday.",
price = "US\$125.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348305;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348306&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608604955",
acknowledgement = ack-nhfb,
bookpages = "xiii + 506",
remark = "Guest editors: D. Hanstorp and H. Persson.",
xxeditor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and Dag Hanstorp and Hans
Persson",
xxpages = "iv--iv",
}
@Book{Lowdin:1998:AQCb,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and S. Wilson and J.
Maruani and Y. G. Smeyers and P. J. Grout and R.
McWeeny",
booktitle = "Advances in Quantum Chemistry: Quantum systems in
chemistry and physics, part {I}",
title = "Advances in Quantum Chemistry: Quantum systems in
chemistry and physics, part {I}",
volume = "31",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xix + 345",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60174-4;
http://dx.doi.org/10.1016/S0065-3276(08)60175-6",
ISBN = "0-12-034831-4 (hardcover)",
ISBN-13 = "978-0-12-034831-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.31",
bibdate = "Sat Dec 30 14:27:30 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Copyright year 1999.",
price = "US\$99.95",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348312;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348314&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608601744;
http://www.sciencedirect.com/science/article/pii/S0065327608601756",
acknowledgement = ack-nhfb,
annote-1 = "Spine says 1998, but copyright year is 1999.",
annote-2 = "Volume editors: Steven Wilson, J. Maruani, Y. G.
Smeyers, P. J. Grout and R. McWeeny.",
bookpages = "xix + 345",
}
@Book{Lowdin:1998:AQCc,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and S. Wilson and J.
Maruani and Y. G. Smeyers and P. J. Grout and R.
McWeeny",
booktitle = "Advances in Quantum Chemistry: Quantum systems in
chemistry and physics, part {II}",
title = "Advances in Quantum Chemistry: Quantum systems in
chemistry and physics, part {II}",
volume = "32",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xix + 338",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60400-1",
ISBN = "0-12-034833-0 (hardcover)",
ISBN-13 = "978-0-12-034833-6 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.32",
bibdate = "Sat Dec 30 14:27:51 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC WorldCat database",
price = "US\$99.95",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348336;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348330&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608604001;
http://www.sciencedirect.com/science/article/pii/S0065327608604220",
acknowledgement = ack-nhfb,
bookpages = "xix + 338",
remark = "Volume editors: Steven Wilson, J. Maruani, Y. G.
Smeyers, P. J. Grout and R. McWeeny.",
}
@Book{Lowdin:1998:AQCd,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and Jorge M. Seminario",
booktitle = "Advances in Quantum Chemistry: Density functional
theory",
title = "Advances in Quantum Chemistry: Density functional
theory",
volume = "33",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xviii + 398",
year = "1998",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60422-0",
ISBN = "0-12-034832-2 (hardcover)",
ISBN-13 = "978-0-12-034832-9 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.33",
bibdate = "Tue Dec 05 06:32:37 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
price = "US\$120.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348329;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348322&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/",
acknowledgement = ack-nhfb,
bookpages = "xviii + 398",
}
@Book{Lowdin:1999:AQCa,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "34",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 388",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60526-2",
ISBN = "0-12-034834-9 (hardcover)",
ISBN-13 = "978-0-12-034834-3 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.34",
bibdate = "Thu Oct 13 11:45:04 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
price = "US\$125.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348343;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348349&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608605262",
acknowledgement = ack-nhfb,
bookpages = "x + 388",
}
@Book{Lowdin:1999:AQCb,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and J. V. Ortiz and Henry
Kurtz",
booktitle = "Advances in Quantum Chemistry: Propagating insight:
{A} tribute to {Yngve {\"O}hrn}",
title = "Advances in Quantum Chemistry: Propagating insight:
{A} tribute to {Yngve {\"O}hrn}",
volume = "35",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 380",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60448-7",
ISBN = "0-12-034835-7 (hardcover)",
ISBN-13 = "978-0-12-034835-0 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.35",
bibdate = "Sat Dec 30 11:08:21 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
price = "US\$145.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348350;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348357&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608604487",
acknowledgement = ack-nhfb,
bookpages = "x + 380",
}
@Book{Lowdin:1999:AQCc,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and Alessandro Lami and
Vincenzo Barone",
booktitle = "Advances in Quantum Chemistry: From electronic
structure to time-dependent processes: a volume in
honor of {Giuseppe Del Re}",
title = "Advances in Quantum Chemistry: From electronic
structure to time-dependent processes: a volume in
honor of {Giuseppe Del Re}",
volume = "36",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xxii + 394",
year = "1999",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(08)60471-2",
ISBN = "0-12-034836-5 (hardcover)",
ISBN-13 = "978-0-12-034836-7 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.36",
bibdate = "Tue Dec 05 06:37:26 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
OCLC WorldCat database",
price = "US\$145.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348367;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348365&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/;
http://www.sciencedirect.com/science/article/pii/S0065327608604712",
acknowledgement = ack-nhfb,
bookpages = "xxii + 394",
remark = "Spine says 1999, but copyright year is 2000.",
}
@Book{Lowdin:2000:AQCa,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas and Hirohiko Adachi and
Masayuki Uda and Rika Sekine",
booktitle = "Advances in Quantum Chemistry: {DV-X$\alpha$} for
atomic spectroscopy and materials science",
title = "Advances in Quantum Chemistry: {DV-X$\alpha$} for
atomic spectroscopy and materials science",
volume = "37",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 393",
year = "2000",
CODEN = "AQCHA9",
ISBN = "0-12-034837-3 (hardcover)",
ISBN-13 = "978-0-12-034837-4 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.37",
bibdate = "Sat Dec 30 14:29:09 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Copyright year 2001.",
price = "US\$145.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348374;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348373&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/",
acknowledgement = ack-nhfb,
annote-1 = "Spine says 2000, but copyright year is 2001.",
annote-2 = "Volume editors: H. Adachi, M. Uda, and R. Sekine.",
bookpages = "xvi + 393",
}
@Book{Lowdin:2000:AQCb,
editor = "Per-Olov L{\"o}wdin and John R. Sabin and Michael C.
Zerner and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry: From electronic
structure to time-dependent processes",
title = "Advances in Quantum Chemistry: From electronic
structure to time-dependent processes",
volume = "38",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "ix + 287",
year = "2000",
CODEN = "AQCHA9",
ISBN = "0-12-034838-1 (hardcover)",
ISBN-13 = "978-0-12-034838-1 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.38",
bibdate = "Tue Dec 05 06:41:39 2000",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
price = "US\$145.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348381;
http://www.academicpress.com/pecs/chem/serials.html;
http://www.apcatalog.com/cgi-bin/AP?ISBN=0120348381&LOCATION=US&FORM=FORM2;
http://www.hbuk.co.uk/ap/",
acknowledgement = ack-nhfb,
bookpages = "ix + 287",
remark = "Subtitle on cover page says: ``a volume in honor of
Giuseppe Del Re'', but that is a printing error.",
}
@Book{Sabin:2001:AQCa,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Jean Maruani
and R. McWeeny and Y. G. Smeyers and S. Wilson",
booktitle = "Advances in Quantum Chemistry: New perspectives in
quantum systems in chemistry and physics, part 1",
title = "Advances in Quantum Chemistry: New perspectives in
quantum systems in chemistry and physics, part 1",
volume = "39",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xxxi + 381",
year = "2001",
ISBN = "0-12-034839-X (hardcover)",
ISBN-13 = "978-0-12-034839-8 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.39",
bibdate = "Thu Feb 21 17:40:21 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).
Proceedings of the Fifth European Workshop on Quantum
Systems in Chemistry and Physics which was held April
13--18, 2000, in Uppsala, Sweden.",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348398",
acknowledgement = ack-nhfb,
bookpages = "xxxi + 381",
}
@Book{Sabin:2001:AQCb,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Jean Maruani
and R. McWeeny and Y. G. Smeyers and S. Wilson",
booktitle = "Advances in Quantum Chemistry: New perspectives in
quantum systems in chemistry and physics, part 1",
title = "Advances in Quantum Chemistry: New perspectives in
quantum systems in chemistry and physics, part 1",
volume = "40",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xxxi + 395",
year = "2001",
ISBN = "0-12-034840-3 (hardcover)",
ISBN-13 = "978-0-12-034840-4 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.40",
bibdate = "Thu Feb 21 17:40:21 2002",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).
Proceedings of the Fifth European Workshop on Quantum
Systems in Chemistry and Physics which was held April
13--18, 2000, in Uppsala, Sweden.",
price = "US\$155.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348404",
acknowledgement = ack-nhfb,
bookpages = "xxxi + 395",
}
@Book{Sabin:2002:AQC,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry: A tribute to the life
and work of {Per-Olov L{\"o}wdin}",
title = "Advances in Quantum Chemistry: {A} tribute to the life
and work of {Per-Olov L{\"o}wdin}",
volume = "41",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 270",
year = "2002",
ISBN = "0-12-034841-1 (hardcover)",
ISBN-13 = "978-0-12-034841-1 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.41",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348411",
acknowledgement = ack-nhfb,
bookpages = "xvi + 270",
}
@Book{Sabin:2003:AQCa,
editor = "John R. Sabin and Erkki J. Br{\"a}ndas and Hirohiko
Adachi and Masayuki Uda and Rika Sekine",
booktitle = "Advances in Quantum Chemistry: {DV--X$\alpha$} for
advanced nano materials and other interesting topics in
materials science",
title = "Advances in Quantum Chemistry: {DV--X$\alpha$} for
advanced nano materials and other interesting topics in
materials science",
volume = "42",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvii + 477",
year = "2003",
ISBN = "0-12-034842-X (hardcover)",
ISBN-13 = "978-0-12-034842-8 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.42",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348428",
acknowledgement = ack-nhfb,
bookpages = "xvii + 477",
}
@Book{Sabin:2003:AQCb,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "43",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xii + 224",
year = "2003",
ISBN = "0-12-034843-8 (hardcover)",
ISBN-13 = "978-0-12-034843-5 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.43",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348435",
acknowledgement = ack-nhfb,
bookpages = "xii + 224",
}
@Book{Sabin:2003:AQCc,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas and Arnout
Ceulemans and Liviu Chibotaru and Eugene Kryachko",
booktitle = "Advances in Quantum Chemistry: Manifestations of
vibronic coupling in chemistry and physics",
title = "Advances in Quantum Chemistry: Manifestations of
vibronic coupling in chemistry and physics",
volume = "44",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xxxvi + 673",
year = "2003",
ISBN = "0-12-034844-6 (hardcover)",
ISBN-13 = "978-0-12-034844-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.44",
bibdate = "Thu Oct 13 22:47:35 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
z3950.libris.kb.se:210/libr",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348442",
acknowledgement = ack-nhfb,
bookpages = "xxxvi + 673",
}
@Book{Sabin:2004:AQCa,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas and Remigio
Cabrera-Trujillo",
booktitle = "Advances in Quantum Chemistry: Theory of the
Interaction of Swift Ions with Matter, Part 1",
title = "Advances in Quantum Chemistry: Theory of the
Interaction of Swift Ions with Matter, Part 1",
volume = "45",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xi + 291",
year = "2004",
ISBN = "0-12-034845-4 (hardcover), 0-08-054407-X (e-book)",
ISBN-13 = "978-0-12-034845-9 (hardcover), 978-0-08-054407-6
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.45",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348459",
acknowledgement = ack-nhfb,
bookpages = "xi + 291",
}
@Book{Sabin:2004:AQCb,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas and Remigio
Cabrera-Trujillo",
booktitle = "Advances in Quantum Chemistry: Theory of the
Interaction of Swift Ions with Matter, Part 2",
title = "Advances in Quantum Chemistry: Theory of the
Interaction of Swift Ions with Matter, Part 2",
volume = "46",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xi + 342",
year = "2004",
ISBN = "0-12-034846-2 (hardcover), 0-12-391779-4 (e-book)",
ISBN-13 = "978-0-12-034846-6 (hardcover), 978-0-12-391779-9
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.46",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/bookseries/00653276/46/part/P2",
acknowledgement = ack-nhfb,
bookpages = "xi + 342",
}
@Book{Sabin:2004:AQCc,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas and Eugene
Kryachko",
booktitle = "Advances in Quantum Chemistry: A Tribute Volume in
Honour of {Professor Osvaldo Goscinski}",
title = "Advances In Quantum Chemistry: {A} Tribute Volume in
Honour of {Professor Osvaldo Goscinski}",
volume = "47",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xxx + 486",
year = "2004",
ISBN = "0-12-391780-8 (hardcover), 0-08-056062-8 (e-book)",
ISBN-13 = "978-0-12-391780-5 (hardcover), 978-0-08-056062-5
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.47",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000). The
mini-symposium and the birthday celebration on 23--24
October 2003, and the L{\"o}wdin Lectures 2003.",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348473;
http://www.sciencedirect.com/science/book/9780123917805",
acknowledgement = ack-nhfb,
bookpages = "xxx + 486",
}
@Book{Sabin:2005:AQCa,
editor = "John S. Sabin and Lene B. Oddershede",
booktitle = "Advances in Quantum Chemistry: {Jens Oddershede}:
Adventurer in Quantum Chemistry",
title = "Advances in Quantum Chemistry: {Jens Oddershede}:
Adventurer in Quantum Chemistry",
volume = "48",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xxviii + 499",
year = "2005",
ISBN = "0-12-034848-9 (hardcover)",
ISBN-13 = "978-0-12-034848-0 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.48",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348480",
acknowledgement = ack-nhfb,
bookpages = "xxviii + 499",
}
@Book{Sabin:2005:AQCb,
editor = "John S. Sabin and Erkki J. Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "49",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xxx + 486",
year = "2005",
ISBN = "0-12-034847-0 (hardcover)",
ISBN-13 = "978-0-12-034847-3 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.49",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348473",
acknowledgement = ack-nhfb,
bookpages = "xxx + 486",
}
@Book{Sabin:2005:AQCc,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Jan Linderberg
and Poul J{\o}rgensen",
booktitle = "Advances in Quantum Chemistry: Response theory and
molecular properties: a tribute to {Jan Linderberg} and
{Poul J{\o}rgensen}",
title = "Advances in Quantum Chemistry: Response theory and
molecular properties: a tribute to {Jan Linderberg} and
{Poul J{\o}rgensen}",
volume = "50",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xxix + 319",
year = "2005",
ISBN = "0-12-034850-0 (hardcover)",
ISBN-13 = "978-0-12-034850-3 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.50",
bibdate = "Thu Oct 13 22:32:00 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348503",
acknowledgement = ack-nhfb,
bookpages = "xxix + 319",
subject = "Molecules; Analysis; Quantenchemie",
xxeditor = "Jan Linderberg and Poul J{\o}rgensen and Hans
J{\o}rgen Aa. Jensen",
}
@Book{Sabin:2006:AQC,
editor = "John R. Sabin and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "51",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "x + 322",
year = "2006",
ISBN = "0-12-034851-9 (hardcover)",
ISBN-13 = "978-0-12-034851-0 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.51",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/bookseries/00653276/51",
acknowledgement = ack-nhfb,
bookpages = "x + 322",
}
@Book{Sabin:2007:AQC,
editor = "John R. Sabin and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry: Theory of the
interaction of radiation with biomolecules",
title = "Advances in Quantum Chemistry: Theory of the
interaction of radiation with biomolecules",
volume = "52",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xii + 323",
year = "2007",
ISBN = "0-12-034852-7 (hardcover), 0-08-046740-7 (e-book)",
ISBN-13 = "978-0-12-034852-7 (hardcover), 978-0-08-046740-5
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.52",
bibdate = "Thu Oct 13 22:24:35 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780120348527",
acknowledgement = ack-nhfb,
bookpages = "xii + 323",
subject = "Radiation chemistry; Radiation; Physiological effect;
Biomolecules; science; Chemistry; Physical and
Theoretical",
}
@Book{Sabin:2008:AQCa,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Sten
Salomonson and Eva Lindroth",
booktitle = "Advances in Quantum Chemistry: Current trends in
atomic physics",
title = "Advances in Quantum Chemistry: Current trends in
atomic physics",
volume = "53",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xix + 271",
year = "2008",
ISBN = "0-12-373925-X (hardcover)",
ISBN-13 = "978-0-12-373925-4 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.53",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).
Papers from a symposium celebrating the 75th birthday
of Ingvar Lindgren, held at Chalmers University of
Technology on June 2nd and 3rd, 2006.",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123739254",
acknowledgement = ack-nhfb,
bookpages = "xix + 271",
}
@Book{Sabin:2008:AQCb,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Jun Kawai and
Yang-Soo Kim and Hirohiko Adachi",
booktitle = "Advances in Quantum Chemistry: {DV-X$\alpha$} for
industrial--academic cooperation",
title = "Advances in Quantum Chemistry: {DV-X$\alpha$} for
industrial--academic cooperation",
volume = "54",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xxviii + 363",
year = "2008",
CODEN = "AQCHA9",
DOI = "http://dx.doi.org/10.1016/S0065-3276(07)00032-9",
ISBN = "0-12-373926-8 (hardcover)",
ISBN-13 = "978-0-12-373926-1 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
bibdate = "Thu Oct 13 11:45:05 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/bookseries/00653276",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/article/pii/S0065327607000329;
http://www.sciencedirect.com/science/book/9780123739261",
acknowledgement = ack-nhfb,
bookpages = "xxviii + 363",
}
@Book{Sabin:2008:AQCc,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Michael E.
Goodsite and Matthew S. Johnson",
booktitle = "Advances in Quantum Chemistry: Applications of
theoretical methods to atmospheric science",
title = "Advances in Quantum Chemistry: Applications of
theoretical methods to atmospheric science",
volume = "55",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xvi + 484",
year = "2008",
ISBN = "0-12-374335-4 (hardcover), 0-08-087805-9 (e-book)",
ISBN-13 = "978-0-12-374335-0 (hardcover), 978-0-08-087805-8
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.55",
bibdate = "Thu Oct 13 22:32:00 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123743350",
acknowledgement = ack-nhfb,
bookpages = "xvi + 484",
subject = "Quantum chemistry; Atmospheric physics",
}
@Book{Sabin:2009:AQCa,
editor = "John R. Sabin and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "56",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xi + 333",
year = "2009",
ISBN = "0-12-374780-5 (hardcover), 0-08-088785-6 (e-book)",
ISBN-13 = "978-0-12-374780-8 (hardcover), 978-0-08-088785-2
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.56",
bibdate = "Thu Oct 13 22:53:47 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
z3950.gbv.de:20011/gvk",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
http://www.sciencedirect.com/science/book/9780123747808;
http://www.sciencedirect.com/science/bookseries/00653276/56",
acknowledgement = ack-nhfb,
bookpages = "xi + 333",
subject = "Quantum chemistry",
}
@Book{Sabin:2009:AQCb,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Salvador A.
Cruz",
booktitle = "Advances in Quantum Chemistry: Theory of confined
quantum systems: Part One",
title = "Advances in Quantum Chemistry: Theory of confined
quantum systems: Part One",
volume = "57",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xii + 334",
year = "2009",
ISBN = "0-12-374764-3 (hardcover)",
ISBN-13 = "978-0-12-374764-8 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.57",
bibdate = "Thu Oct 13 22:53:47 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
z3950.gbv.de:20011/gvk",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123747648",
acknowledgement = ack-nhfb,
bookpages = "xii + 334",
}
@Book{Sabin:2009:AQC,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Salvador A.
Cruz",
booktitle = "Advances in Quantum Chemistry: Theory of confined
quantum systems: Part Two",
title = "Advances in Quantum Chemistry: Theory of confined
quantum systems: Part Two",
volume = "58",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "x + 281",
year = "2009",
ISBN = "0-12-375074-1 (hardcover)",
ISBN-13 = "978-0-12-375074-7 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.58",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123750747",
acknowledgement = ack-nhfb,
bookpages = "x + 281",
}
@Book{Sabin:2010:AQC,
editor = "John R. Sabin and Erkki Br{\"a}ndas and Sylvio
Canuto",
booktitle = "Advances in Quantum Chemistry: Combining quantum
mechanics and molecular mechanics: some recent progress
in {QM--MM} methods",
title = "Advances in Quantum Chemistry: Combining quantum
mechanics and molecular mechanics: some recent progress
in {QM--MM} methods",
volume = "59",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xvi + 416",
year = "2010",
ISBN = "0-12-380898-7 (hardcover), 0-12-380899-5 (e-book)",
ISBN-13 = "978-0-12-380898-1 (hardcover), 978-0-12-380899-8
(e-book)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.59",
bibdate = "Thu Oct 13 22:43:44 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
library.ox.ac.uk:210/ADVANCE",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
price = "UK\pounds 136.00",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123808981",
acknowledgement = ack-nhfb,
bookpages = "xvi + 416",
subject = "Quantum chemistry",
}
@Book{Nicolaides:2010:AQC,
editor = "Cleanthes A. Nicolaides and Erkki Br{\"a}ndas and John
R. Sabin",
title = "Advances in Quantum Chemistry: Unstable states in the
continuous Spectra, part 1",
volume = "60",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xiii + 549",
year = "2010",
ISBN = "0-12-380900-2 (hardcover)",
ISBN-13 = "978-0-12-380900-1 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.60",
bibdate = "Thu Oct 13 22:47:18 MDT 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib;
z3950.kb.dk:2100/KGL01",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123809001",
acknowledgement = ack-nhfb,
bookpages = "xiii + 549",
subject = "Spectrum analysis",
}
@Book{Sabin:2011:AQCa,
editor = "John R. Sabin",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "61",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xiv + 386",
year = "2011",
ISBN = "0-12-386013-X (hardcover)",
ISBN-13 = "978-0-12-386013-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.61",
bibdate = "Thu Oct 13 23:17:05 2011",
bibsource = "http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123860132",
acknowledgement = ack-nhfb,
bookpages = "xiv + 386",
}
@Book{Sabin:2011:AQCb,
editor = "John R. Sabin and Erkki Br{\"a}ndas",
booktitle = "Advances in Quantum Chemistry",
title = "Advances in Quantum Chemistry",
volume = "62",
publisher = pub-ELSEVIER-ACADEMIC,
address = pub-ELSEVIER-ACADEMIC:adr,
pages = "xiv + 354",
year = "2011",
ISBN = "0-12-386477-1 (hardcover)",
ISBN-13 = "978-0-12-386477-2 (hardcover)",
ISSN = "0065-3276",
ISSN-L = "0065-3276",
LCCN = "QD453 .A28 v.62",
bibdate = "Thu Oct 13 22:17:08 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
http://www.math.utah.edu/pub/tex/bib/advquantumchem.bib",
note = "Founding editor Per-Olov L{\"o}wdin (1916--2000).",
series = j-ADV-QUANTUM-CHEM,
URL = "http://www.sciencedirect.com/science/book/9780123864772",
acknowledgement = ack-nhfb,
bookpages = "xiv + 354",
subject = "Quantum chemistry",
}