Table of contents for issues of Advances in Quantum Chemistry

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Volume 1, 1964
Volume 2, 1965
Volume 3, 1967
Volume 4, 1968
Volume 5, 1970
Volume 6, 1972
Volume 7, 1973
Volume 8, 1974
Volume 9, 1975
Volume 10, 1977
Volume 11, 1978
Volume 12, 1980
Volume 13, 1981
Volume 14, 1981
Volume 15, 1982
Volume 16, 1982
Volume 17, 1985
Volume 18, 1986
Volume 19, 1988
Volume 20, 1989
Volume 21, 1990
Volume 22, 1991
Volume 23, 1992
Volume 24, 1992
Volume 25, 1994
Volume 26, 1995
Volume 27, 1996
Volume 28, 1997
Volume 29, 1997
Volume 30, 1998
Volume 31, 1998
Volume 32, 1998
Volume 33, 1998
Volume 34, 1999
Volume 35, 1999
Volume 36, 1999
Volume 37, 2000
Volume 38, 2000
Volume 39, 2001
Volume 40, 2001
Volume 41, 2002
Volume 42, 2003
Volume 43, 2003
Volume 44, 2003
Volume 45 (part 1), 2004
Volume 46 (part 2), 2004
Volume 47, 2004
Volume 48, 2005
Volume 49, 2005
Volume 50, 2005
Volume 51, 2006
Volume 52, 2007
Volume 53, 2008
Volume 54, 2008
Volume 55, 2008
Volume 56, 2009
Volume 57, 2009
Volume 58, 2009
Volume 59, 2010
Volume 60, 2010
Volume 61, 2011
Volume 62, 2011
Volume 63, 2012
Volume 64, 2012
Volume 65, 2013
Volume 66, 2013
Volume 67, 2013
Volume 68, 2014
Volume 69, 2014
Volume 70, 2015
Volume 71, 2015
Volume 72, 2016
Volume 73, 2017
Volume 74, 2017
Volume 75, 2017
Volume 76, 2018
Volume 77, 2018


Advances in Quantum Chemistry
Volume 1, 1964

              Egil A. Hylleraas   The Schrödinger Two-Electron Atomic
                                  Problem  . . . . . . . . . . . . . . . . 1--33
                   J. C. Slater   Energy Band Calculations by the
                                  Augmented Plane Wave Method  . . . . . . 35--58
                   F. A. Matsen   Spin-Free Quantum Chemistry  . . . . . . 59--114
                      R. Daudel   On the Basis of the Main Methods of
                                  Calculating Molecular Electronic Wave
                                  Functions  . . . . . . . . . . . . . . . 115--143
                    Sadhan Basu   Theory of Solvent Effects on Molecular
                                  Electronic Spectra . . . . . . . . . . . 145--169
                 Peter G. Lykos   The Pi-Electron Approximation  . . . . . 171--201
                      Y. I'Haya   Recent Developments in the Generalized
                                  Hückel Method . . . . . . . . . . . . . . 203--240
                     G. G. Hall   Accuracy of Calculated Atomic and
                                  Molecular Properties . . . . . . . . . . 241--254
     Joseph O. Hirschfelder and   
             W. Byers Brown and   
                Saul T. Epstein   Recent Developments in Perturbation
                                  Theory . . . . . . . . . . . . . . . . . 255--374
                      Anonymous   Author Index . . . . . . . . . . . . . . 375--381
                      Anonymous   Subject Index  . . . . . . . . . . . . . 382--385
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to the Volume . . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . v--vi
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . vii--viii


Advances in Quantum Chemistry
Volume 2, 1965

                 S. F. Boys and   
                   P. Rajagopal   Quantum Calculations: Which Are
                                  Accumulative in Accuracy, Unrestricted
                                  in Expansion Functions, and Economical
                                  in Computation . . . . . . . . . . . . . 1--24
          Inga Fischer-Hjalmars   Zero Differential Overlap in $ \pi
                                  $-Electron Theories  . . . . . . . . . . 25--46
                  S. M. Blinder   Theory of Atomic Hyperfine Structure . . 47--91
                 R. McWeeny and   
                     E. Steiner   The Theory of Pair-Correlated Wave
                                  Functions  . . . . . . . . . . . . . . . 93--117
                 Laurens Jansen   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 . . . . . . . . . . . . . . 119--194
                  Herbert Jehle   Charge Fluctuation Interactions in
                                  Molecular Biophysics . . . . . . . . . . 195--212
           Per-Olov Löwdin   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  . . . . . . . . . . 213--360
                      Anonymous   Author Index . . . . . . . . . . . . . . 361--368
                      Anonymous   Subject Index  . . . . . . . . . . . . . 369--372
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . v--vi
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . vii--viii


Advances in Quantum Chemistry
Volume 3, 1967

                   R. K. Nesbet   Approximate Hartree--Fock Calculations
                                  on Small Molecules . . . . . . . . . . . 1--24
                David M. Bishop   Single-Center Molecular Wave Functions   25--59
                Frank E. Harris   Molecular Orbital Theory . . . . . . . . 61--127
                H. Margenau and   
                     J. Stamper   Nonadditivity of Intermolecular Forces   129--160
                      R. Daudel   Quantum Theory of Chemical Reactivity    161--208
                    S. Brato\vz   Electronic Theories of Hydrogen Bonding  209--237
                     Kimio Ohno   Molecular Orbital Calculations of $ \pi
                                  $ Electron Systems . . . . . . . . . . . 239--322
           Per-Olov Löwdin   Quantum Theory of Time-Dependent
                                  Phenomena Treated by the Evolution
                                  Operator Technique . . . . . . . . . . . 323--381
                      Anonymous   Author Index . . . . . . . . . . . . . . 383--388
                      Anonymous   Subject Index  . . . . . . . . . . . . . 389--392
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xiii--xvi
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . v--vi
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . vii--viii


Advances in Quantum Chemistry
Volume 4, 1968

                Bela A. Lengyel   Functional Analysis for Quantum
                                  Theorists  . . . . . . . . . . . . . . . 1--82
                  A. J. Coleman   The Symmetric Group Made Easy  . . . . . 83--108
                 Donald H. Kobe   Field Theoretic Approach to Atomic
                                  Helium . . . . . . . . . . . . . . . . . 109--140
           T. M. Bieniewski and   
              T. K. Krueger and   
                   S. J. Czyzak   Atomic Intensities: a Comparison of
                                  Theoretical and Experimental $f$-Values
                                  for ZnI, CdI and HgI . . . . . . . . . . 141--152
             Lionel Goodman and   
            Bernard J. Laurenzi   Probability of Singlet-Triplet
                                  Transitions  . . . . . . . . . . . . . . 153--169
                 J. P. Dahl and   
               C. J. Ballhausen   Molecular Orbital Theories of Inorganic
                                  Complexes  . . . . . . . . . . . . . . . 170--226
                   Masao Kotani   Paramagnetic Properties and Electronic
                                  Structure of Iron in Heme Proteins . . . 227--266
            Alberte Pullman and   
                Bernard Pullman   Aspects of the Electronic Structure of
                                  the Purine and Pyrimidine Bases of the
                                  Nucleic Acids and of Their Interactions  267--325
                      Anonymous   Author Index . . . . . . . . . . . . . . 327--331
                      Anonymous   Subject Index  . . . . . . . . . . . . . 332--334
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xiii--xiv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . v--vi
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . vii--viii


Advances in Quantum Chemistry
Volume 5, 1970

                      R. Daudel   Some Aspects of the Quantum Theory of
                                  Photochemical Reactivity of Organic
                                  Molecules  . . . . . . . . . . . . . . . 1--26
             M. J. Feinberg and   
           Klaus Ruedenberg and   
               Ernest L. Mehler   The Origin of Binding and Antibinding in
                                  the Hydrogen Molecule-Ion  . . . . . . . 27--98
            W\lodzimierz Ko\los   Adiabatic Approximation and Its Accuracy 99--133
                  E. E. Nikitin   The Theory of Nonadiabatic Transitions:
                                  Recent Development with Exponential
                                  Models . . . . . . . . . . . . . . . . . 135--184
           Per-Olov Löwdin   On the Nonorthogonality Problem  . . . . 185--199
               W. A. Bingel and   
                  W. Kutzelnigg   Symmetry Properties of Reduced Density
                                  Matrices and Natural $p$ -States . . . . 201--218
                D. J. Klein and   
             C. H. Carlisle and   
                   F. A. Matsen   Symmetry Adaptation to Sequences of
                                  Finite Groups  . . . . . . . . . . . . . 219--260
             Arnold C. Wahl and   
                         G. Das   The Method of Optimized Valence
                                  Configurations: a Reasonable Application
                                  of The Multiconfiguration
                                  Self-Consistent-Field Technique to the
                                  Quantitative Description of Chemical
                                  Bonding  . . . . . . . . . . . . . . . . 261--296
                      Anonymous   Author Index . . . . . . . . . . . . . . 297--301
                      Anonymous   Subject Index  . . . . . . . . . . . . . 302--303
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xiii--xv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . ix--x
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 6, 1972

                 John C. Slater   Statistical Exchange-Correlation in the
                                  Self-Consistent Field  . . . . . . . . . 1--92
            Claude Aslangul and   
        Raymond Constanciel and   
             Raymond Daudel and   
                Philemon Kottis   Aspects of the Localizability of
                                  Electrons in Atoms and Molecules: Loge
                                  Theory and Related Methods . . . . . . . 93--141
         Dennis J. Caldwell and   
                   Henry Eyring   Magnetic Circular Dichroism and
                                  Diamagnetic Molecules  . . . . . . . . . 143--158
                Sadhan Basu and   
              Purnendranath Sen   Collective Electron Oscillation in
                                  Pi-Electron Systems  . . . . . . . . . . 159--175
           Hiroshi Fujimoto and   
                  Kenichi Fukui   Molecular Orbital Theory of Chemical
                                  Reactions  . . . . . . . . . . . . . . . 177--201
               Bruno Linder and   
              David A. Rabenold   Unified Treatment of van der Waals
                                  Forces between Two Molecules of
                                  Arbitrary Sizes and Electron
                                  Delocalizations  . . . . . . . . . . . . 203--233
             Ernest R. Davidson   Natural Orbitals . . . . . . . . . . . . 235--266
           Klaus Ruedenberg and   
             Ronald D. Poshusta   Matrix Elements and Density Matrices for
                                  Many-Electron Spin Eigenstates Built
                                  from Orthonormal Orbitals  . . . . . . . 267--298
                    F. Weinhold   Upper and Lower Bounds to
                                  Quantum-Mechanical Properties  . . . . . 299--331
        Ralph E. Christoffersen   \em Ab Initio Calculations on Large
                                  Molecules  . . . . . . . . . . . . . . . 333--393
                      Anonymous   Author Index . . . . . . . . . . . . . . 395--408
                      Anonymous   Subject Index  . . . . . . . . . . . . . 409--413
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xii--xvi
                      Anonymous   Contributors to This Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . ix--x
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 7, 1973

            E. O. Steinborn and   
                  K. Ruedenberg   Rotation and Translation of Regular and
                                  Irregular Solid Spherical Harmonics  . . 1--81
                E. O. Steinborn   Molecular Integrals between Real and
                                  between Complex Atomic Orbitals  . . . . 83--112
                   G. A. Gallup   The Symmetric Groups and Calculation of
                                  Energies of $n$ -Electron Systems in
                                  Pure Spin States . . . . . . . . . . . . 113--141
               Keith H. Johnson   Scattered-Wave Theory of the Chemical
                                  Bond . . . . . . . . . . . . . . . . . . 143--185
            Sigeru Huzinaga and   
           Denis McWilliams and   
               Antonio A. Cantu   Projection Operators in Hartree--Fock
                                  Theory . . . . . . . . . . . . . . . . . 187--220
                 A. E. S. Green   An Analytic Independent Particle Model
                                  for Atoms. I. Initial Studies  . . . . . 221--262
                 J. N. Bass and   
             A. E. S. Green and   
                     J. H. Wood   An Analytic Independent Particle Model
                                  for Atoms. II. Modified Hartree--Fock
                                  Calculations for Atoms . . . . . . . . . 263--275
                 R. A. Berg and   
                 A. E. S. Green   An Analytic Independent Particle Model
                                  for Atoms. III. Ionization of Rare Gas
                                  Atoms by Electrons in the Born
                                  Approximation  . . . . . . . . . . . . . 277--288
                 A. T. Amos and   
                  B. L. Burrows   Solvent-Shift Effects on Electronic
                                  Spectra and Excited-State Dipole Moments
                                  and Polarizabilities . . . . . . . . . . 289--313
                   A. C. Hurley   Thermochemistry in the Hartree--Fock
                                  Approximation  . . . . . . . . . . . . . 315--334
                    Robert Rein   On Physical Properties and Interactions
                                  of Polyatomic Molecules: With
                                  Application to Molecular Recognition in
                                  Biology  . . . . . . . . . . . . . . . . 335--396
          János J. Ladik   Quantum Theory of DNA: Summary of
                                  Results and Study Program  . . . . . . . 397--445
                      Anonymous   Author Index . . . . . . . . . . . . . . 447--454
                      Anonymous   Subject Index  . . . . . . . . . . . . . 455--457
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xiii--xvi
                      Anonymous   Contributors to This Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . ix--x
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 8, 1974

                       J. Serre   Symmetry Groups of Nonrigid Molecules    1--36
              William I. Salmon   Genealogical Electronic Spin
                                  Eigenfunctions and Antisymmetric
                                  Many-Electron Wavefunctions Generated
                                  Directly from Young Diagrams . . . . . . 37--94
                Giuseppe Del Re   Current Problems and Perspectives in the
                                  MO--LCAO Theory of Molecules . . . . . . 95--136
Christian Klixbüll Jòrgensen   Photoelectron Spectra Showing Relaxation
                                  Effects in the Continuum and
                                  Electrostatic and Chemical Influences of
                                  the Surrounding Atoms  . . . . . . . . . 137--182
                    G. Berthier   Some Recent Developments in the Theory
                                  of Coordination Compounds of Metals  . . 183--230
                 David A. Micha   Effective Hamiltonian Methods for
                                  Molecular Collisions . . . . . . . . . . 231--287
                      Anonymous   Subject Index  . . . . . . . . . . . . . 289--291
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents of Previous Volumes . . . . . . xiii--xvii
                      Anonymous   List of Contributors . . . . . . . . . . ix--ix
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 9, 1975

              Brian O'Leary and   
              Brian J. Duke and   
                James E. Eilers   Utilization of Transferability in
                                  Molecular Orbital Theory . . . . . . . . 1--67
      Sigrid D. Peyerimhoff and   
              Robert J. Buenker   A Series of Electronic Spectral
                                  Calculations Using Nonempirical CI
                                  Techniques . . . . . . . . . . . . . . . 69--104
                  J. Paldus and   
            J. \vCí\vzek   Time-Independent Diagrammatic Approach
                                  to Perturbation Theory of Fermion
                                  Systems  . . . . . . . . . . . . . . . . 105--197
         William A. Lester, Jr.   Coupled-Channel Studies of Rotational
                                  and Vibrational Energy Transfer by
                                  Collision  . . . . . . . . . . . . . . . 199--214
                   R. K. Nesbet   Theory of Low Energy Electron Scattering
                                  by Complex Atoms . . . . . . . . . . . . 215--297
                      Anonymous   Subject Index  . . . . . . . . . . . . . 299--300
                      Anonymous   Contents of Previous Volumes . . . . . . 301--304
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   List of Contributors . . . . . . . . . . vii--viii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 10, 1977

             Philip Coppens and   
               Edwin D. Stevens   Accurate X-Ray Diffraction and Quantum
                                  Chemistry: The Study of Charge Density
                                  Distributions  . . . . . . . . . . . . . 1--35
                Per Kaijser and   
           Vedene H. Smith, Jr.   Evaluation of Momentum Distributions and
                                  Compton Profiles for Atomic and
                                  Molecular Systems  . . . . . . . . . . . 37--76
               Hans Kleinpoppen   Analysis of Electron--Atom Collisions    77--141
              Jacob Katriel and   
                   Ruben Pauncz   Theoretical Interpretation of Hund's
                                  Rule . . . . . . . . . . . . . . . . . . 143--185
                  B. H. Brandow   Linked-Cluster Perturbation Theory for
                                  Closed- and Open-Shell Systems . . . . . 187--249
                Bernard Pullman   Quantum-Mechanical Approach to the
                                  Conformational Basis of Molecular
                                  Pharmacology . . . . . . . . . . . . . . 251--328
                      Anonymous   Subject Index  . . . . . . . . . . . . . 329--333
                      Anonymous   Contents of Previous Volumes . . . . . . 335--338
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . ix--ix
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 11, 1978

               R. A. Bonham and   
                  J. S. Lee and   
                R. Kennerly and   
                     W. St.John   Experimental Measurements of Charge and
                                  Momentum Densities, Generalized
                                  Oscillator Strengths, and Excitation
                                  Frequencies  . . . . . . . . . . . . . . 1--32
                    Sadhan Basu   Convergence Limit in the Electronic
                                  Spectra of Linear Polyenes . . . . . . . 33--49
Christian Klixbüll Jòrgensen   Kossel Isoelectronic Series and
                                  Photoelectron Spectra  . . . . . . . . . 51--91
            Dennis Caldwell and   
                   Henry Eyring   Localized Orbitals in Spectroscopy . . . 93--114
               Eolo Scrocco and   
                  Jacopo Tomasi   Electronic Molecular Structure,
                                  Reactivity and Intermolecular Forces: An
                                  Euristic Interpretation by Means of
                                  Electrostatic Molecular Potentials . . . 115--193
               Tokio Yamabe and   
          Akitomo Tachibana and   
                  Kenichi Fukui   Complex Eigenvalue Problems in Atoms and
                                  Molecules  . . . . . . . . . . . . . . . 195--221
                   F. A. Matsen   The Unitary Group and the Many-Body
                                  Problem  . . . . . . . . . . . . . . . . 223--250
                    G. Drukarev   The Zero-Range Potential Model and Its
                                  Application in Atomic and Molecular
                                  Physics  . . . . . . . . . . . . . . . . 251--274
                Jens Oddershede   Polarization Propagator Calculations . . 275--352
              Pekka Pyykkö   Relativistic Quantum Chemistry . . . . . 353--409
                 Gunnar Sperber   Fundamentals of Equilibrium
                                  Thermodynamics and Statistical Mechanics 411--478
                      Anonymous   Subject Index  . . . . . . . . . . . . . 479--482
                      Anonymous   Contents of Previous Volumes . . . . . . 483--487
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   List of Contributors . . . . . . . . . . ix--x
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 12, 1980

            David M. Bishop and   
                  Lap M. Cheung   Accurate One- and Two-Electron Diatomic
                                  Molecular Calculations . . . . . . . . . 1--42
               Y. J. I'Haya and   
                Tetsuo Morikawa   Variational Approach to Orthogonality
                                  and Normality of Basis Ket-Vectors . . . 43--63
        Jean-Marie André   Quantum Mechanical Methods for Regular
                                  Polymers . . . . . . . . . . . . . . . . 65--102
               M. Simonetta and   
                  A. Gavezzotti   The Cluster Approach in Theoretical
                                  Study of Chemisorption . . . . . . . . . 103--158
         Ramon Carbó and   
                     Odd Gropen   Open Shell SCF Theory: An \em ab Initio
                                  Study of Some Interstellar Molecules . . 159--187
            István Mayer   The Spin-Projected Extended
                                  Hartree--Fock Method . . . . . . . . . . 189--262
           Per-Olov Löwdin   Molecular Structure Calculations . . . . 263--316
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 317--320
                      Anonymous   Contents of Previous Volumes . . . . . . 321--325
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . vii--vii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 13, 1981

               Y. Öhrn and   
                        G. Born   Molecular Electron Propagator Theory and
                                  Calculations . . . . . . . . . . . . . . 1--88
               Zden\vek Slanina   Chemical Isomerism and Its Contemporary
                                  Theoretical Description  . . . . . . . . 89--153
                    Bruno Klahn   Review of the Linear Independence
                                  Properties of Infinite Sets of Functions
                                  Used in Quantum Chemistry  . . . . . . . 155--209
                     Ji-Min Yan   Symmetry Rules in the Graph Theory of
                                  Molecular Orbitals . . . . . . . . . . . 211--241
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 243--245
                      Anonymous   Contents of Previous Volumes . . . . . . 246--251
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . vii--vii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 14, 1981

             Eugene S. Kryachko   Symmetry Properties of Reduced Density
                                  Matrices . . . . . . . . . . . . . . . . 1--61
             R. F. W. Bader and   
              T. T. Nguyen-Dang   Quantum Theory of Atoms in Molecules ---
                                  Dalton Revisited . . . . . . . . . . . . 63--124
              K. V. Dinesha and   
                C. R. Sarma and   
                     S. Rettrup   Group Theoretical Techniques and the
                                  Many-Electron Problem  . . . . . . . . . 125--168
        Curtis L. Shoemaker and   
                Robert E. Wyatt   Feshbach Resonances in Chemical
                                  Reactions  . . . . . . . . . . . . . . . 169--240
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 241--242
                      Anonymous   Contents of Previous Volumes . . . . . . 243--248
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
                      Anonymous   List of Contributors . . . . . . . . . . vii--vii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 15, 1982

           M. V. Basilevsky and   
                   V. M. Ryaboy   Quantum Dynamics of Linear Triatomic
                                  Reactions  . . . . . . . . . . . . . . . 1--83
             I. B. Bersuker and   
                 V. Z. Polinger   Vibronic Interactions and the
                                  Jahn--Teller Effect  . . . . . . . . . . 85--160
   Miklós Kertész   Electronic Structure of Polymers . . . . 161--214
         Ramon Carbó and   
     Llorenç Domingo and   
              Josep-Jordi Peris   Elementary Unitary MO Transformations
                                  and SCF Theory . . . . . . . . . . . . . 215--265
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 267--272
                      Anonymous   Contents of Previous Volumes . . . . . . 273--277
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editors  . . . . . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 16, 1982

      Inga Fischer-Hjalmars and   
         Anita Henriksson-Enflo   Metals in Biology: An Attempt at
                                  Classification . . . . . . . . . . . . . 1--41
                  A. Dedieu and   
               M.-M. Rohmer and   
                    A. Veillard   Ab Initio Calculations of
                                  Metalloporphyrins  . . . . . . . . . . . 43--95
                D. P. Craig and   
           T. Thirunamachandran   Radiation Molecule Interactions in
                                  Chemical Physics . . . . . . . . . . . . 97--160
          A. A. Ovchinnikov and   
            M. Ya. Ovchinnikova   Problems of Nonlinear Radiationless
                                  Processes in Chemistry . . . . . . . . . 161--227
               G. A. Gallup and   
                R. L. Vance and   
              J. R. Collins and   
                  J. M. Norbeck   Practical Valence-Bond Calculations  . . 229--272
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 273--280
                      Anonymous   Contents of Previous Volumes . . . . . . 281--285
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--viii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 17, 1985

                  Georges Leroy   The Theoretical Approach to Some
                                  Chemical Problems  . . . . . . . . . . . 1--95
         Eugene S. Kryachko and   
                Toshikatsu Koga   Modern Aspects of Diatomic Interaction
                                  Theory . . . . . . . . . . . . . . . . . 97--223
              Jean-Louis Calais   Gap Equations and Instabilities for
                                  Extended Systems . . . . . . . . . . . . 225--250
           Kazuyoshi Tanaka and   
                   Tokio Yamabe   Electronic Structure of Conductive
                                  Conjugated Systems and Their
                                  Physicochemical Properties . . . . . . . 251--284
           Per-Olov Löwdin   Some Aspects on the Hamiltonian and
                                  Liouvillian Formalism, the Special
                                  Propagator Methods, and the Equation of
                                  Motion Approach  . . . . . . . . . . . . 285--334
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 335--338
                      Anonymous   Contents of Previous Volumes . . . . . . 339--344
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors to this Volume  . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 18, 1986

             I. B. Bersuker and   
                I. Ya. Ogurtsov   The Jahn--Teller Effect in Dipole
                                  (Multipole) Moments and Polarizabilities
                                  of Molecules . . . . . . . . . . . . . . 1--84
       Jozef S. Kwiatkowski and   
    Theresa Julia Zielinski and   
                    Robert Rein   Quantum-Mechanical Prediction of
                                  Tautomeric Equilibria  . . . . . . . . . 85--130
               W. J. Briels and   
            A. P. J. Jansen and   
              A. Van Der Avoird   Dynamics of Molecular Crystals . . . . . 131--206
           Mark R. Hoffmann and   
          Henry F. Schaefer III   A Full Coupled-Cluster Singles, Doubles,
                                  and Triples Model for the Description of
                                  Electron Correlation . . . . . . . . . . 207--279
     Stanislaw A. Kucharski and   
             Rodney J. Bartlett   Fifth-Order Many-Body Perturbation
                                  Theory and Its Relationship to Various
                                  Coupled-Cluster Approaches . . . . . . . 281--344
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 345--350
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . vii--viii


Advances in Quantum Chemistry
Volume 19, 1988

                B. G. Adams and   
        J. \vCí\vzek and   
                      J. Paldus   Lie Algebraic Methods and Their
                                  Applications to Simple Quantum Systems   1--85
           Per-Olov Löwdin   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 . . . . . . . . . . . . . 87--138
           Walter C. Ermler and   
            Richard B. Ross and   
        Phillip A. Christiansen   Spin-Orbit Coupling and Other
                                  Relativistic Effects in Atoms and
                                  Molecules  . . . . . . . . . . . . . . . 139--182
            Trygve Helgaker and   
          Poul Jòrgensen   Analytical Calculation of Geometrical
                                  Derivatives in Molecular Electronic
                                  Structure Theory . . . . . . . . . . . . 183--245
      B\vretislav Friedrich and   
            Zden\vek Havlas and   
            Zden\vek Herman and   
        Rudolf Zahradník   Theoretical Studies of Reaction
                                  Mechanisms in Chemistry  . . . . . . . . 247--288
               I. G. Kaplan and   
                   V. N. Smutny   $ \beta $-Decay-Induced Rearrangement of
                                  the Molecular Electron Shell and the
                                  Problem of Determining the Neutrino Rest
                                  Mass . . . . . . . . . . . . . . . . . . 289--348
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 349--365
                      Anonymous   Announcement of New Format . . . . . . . xiii--xiii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Announcement of New Format . . . . . . . xiii--xiii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 20, 1989

             M. A. Van Hove and   
                 S.-W. Wang and   
             D. F. Ogletree and   
                 G. A. Somorjai   The State of Surface Structural
                                  Chemistry: Theory, Experiment and
                                  Results  . . . . . . . . . . . . . . . . 1--184
       Per-Olov Löwdin and   
             Piotr Froelich and   
            Manoj Míshra   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    185--237
               John D. Head and   
              Michael C. Zerner   Newton Based Optimization Methods for
                                  Obtaining Molecular Conformation . . . . 239--290
         Debashis Mukherjee and   
                     Sourav Pal   Use of Cluster Expansion Methods in the
                                  Open-Shell Correlation Problem . . . . . 291--373
         Ramon Carbó and   
           Joan Miró and   
     Llorenç Domingo and   
                  Juan J. Novoa   Jacobi Rotations: a General Procedure
                                  for Electronic Energy Optimization . . . 375--441
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 443--453
                      Anonymous   Announcement of New Format . . . . . . . xiii--xiii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 21, 1990

              Samuel B. Trickey   Introduction . . . . . . . . . . . . . . 1--5
            P. C. Hohenberg and   
                Walter Kohn and   
                     L. J. Sham   The Beginnings and Some Thoughts on the
                                  Future . . . . . . . . . . . . . . . . . 7--26
               John E. Harriman   Density and Density Matrices in Density
                                  Functional Theory  . . . . . . . . . . . 27--46
   Eduardo V. Ludeña and   
                   Jaime Keller   Density Matrix Foundations of Density
                                  Functional Theory: The Importance of
                                  Pure-State $N$-Representability in the
                                  Derivation of Extended Kohn--Sham
                                  Equations  . . . . . . . . . . . . . . . 47--67
                       Mel Levy   Constrained-Search Formulation And
                                  Recent Coordinate Scaling In
                                  Density-Functional Theory  . . . . . . . 69--95
           M. Schlüter and   
                     L. J. Sham   Density-Functional Theory of the Band
                                  Gap  . . . . . . . . . . . . . . . . . . 97--112
                 John P. Perdew   Size-Consistency, Self-Interaction
                                  Correction, and Derivative Discontinuity
                                  in Density Functional Theory . . . . . . 113--134
                 L. N. Oliveira   Density Functional Treatment of Excited
                                  States . . . . . . . . . . . . . . . . . 135--154
          Mark S. Hybertsen and   
                Steven G. Louie   Self-Energy Approach to Quasiparticle
                                  Energies Using a Density Functional
                                  Treatment of Dielectric Screening  . . . 155--174
          David C. Langreth and   
                    S. H. Vosko   Response Functions and Nonlocal
                                  Approximations . . . . . . . . . . . . . 175--199
           Leonard Kleinman and   
                   Viraht Sahni   Density-Gradient Expansions  . . . . . . 201--234
                 G. Vignale and   
                Mark Rasolt and   
               D. J. W. Geldart   Magnetic Fields and Density Functional
                                  Theory . . . . . . . . . . . . . . . . . 235--253
             E. K. U. Gross and   
                        W. Kohn   Time-Dependent Density Functional Theory 255--291
                    Weitao Yang   Integral Formulation of Density
                                  Functional Theory  . . . . . . . . . . . 293--302
               Jerzy Cioslowski   Density Functional Reformulation of
                                  Molecular Orbital Theories . . . . . . . 303--316
               B. I. Dunlap and   
                  N. Rösch   The Gaussian-Type Orbitals Density
                                  Functional Approach to Finite Systems    317--339
              Roy G. Gordon and   
                  Richard LeSar   Local Density Functional Theories of
                                  Ionic and Molecular Solids . . . . . . . 341--363
               R. C. Albers and   
               A. M. Boring and   
                 J. C. Boettger   LDA Applications to the Properties of
                                  Periodic Systems . . . . . . . . . . . . 365--398
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 399--405
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Edited Board . . . . . . . . . . . . . . ??


Advances in Quantum Chemistry
Volume 22, 1991

                 George G. Hall   The Lennard-Jones Paper of 1929 and the
                                  Foundations of Molecular Orbital Theory  1--6
           Horacio Grinberg and   
           Julio Marañon   The Feynman Path Integral Formalism:
                                  Atomic and Molecular Electronic
                                  Structure  . . . . . . . . . . . . . . . 7--123
                D. E. Ellis and   
                     J. Guo and   
                H.-P. Cheng and   
                      J. J. Low   Transition Metal Clusters: Electronic
                                  Structure and Interaction With Hydrogen
                                  and Oxides . . . . . . . . . . . . . . . 125--165
               Jan Geertsen and   
            Steffen Eriksen and   
                Jens Oddershede   Some Aspects of The Coupled Cluster
                                  Based Polarization Propagator Method . . 167--209
          Shridhar R. Gadre and   
               Rajeev K. Pathak   Bounds to Atomic and Molecular Energy
                                  Functionals  . . . . . . . . . . . . . . 211--300
            Jan Almlöf and   
                Peter R. Taylor   Atomic Natural Orbital (ANO) Basis Sets
                                  for Quantum Chemical Calculations  . . . 301--373
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 375--385
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 23, 1992

           Hans Ågren and   
                Amary Cesar and   
       Christoph-Maria Liegener   Theory of Molecular Auger Spectra  . . . 1--82
           Per-Olov Löwdin   On Linear Algebra, the Least Square
                                  Method, and the Search for Linear
                                  Relations by Regression Analysis in
                                  Quantum Chemistry and Other Sciences . . 83--126
                J. D. Louck and   
               L. C. Biedenharn   Canonical and Noncanonical Methods in
                                  Applications of Group Theory to Physical
                                  Problems . . . . . . . . . . . . . . . . 127--204
          Jürgen Gauss and   
                  Dieter Cremer   Analytical Energy Gradients in
                                  Mòller--Plesset Perturbation and
                                  Quadratic Configuration Interaction
                                  Methods: Theory and Application  . . . . 205--299
               A. B. Sannigrahi   \em Ab Initio Molecular Orbital
                                  Calculations of Bond Index and Valency   301--351
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 353--363
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 24, 1992

                Yves G. Smeyers   Introduction to Group Theory for
                                  Non-Rigid Molecules  . . . . . . . . . . 1--77
       Per-Olov Löwdin and   
            István Mayer   Some Studies of the General
                                  Hartree--Fock Method . . . . . . . . . . 79--114
         Ramon Carbó and   
            Emili Besalú   Many Center AO Integral Evaluation Using
                                  Cartesian Exponential Type Orbitals
                                  (CETO'S) . . . . . . . . . . . . . . . . 115--237
            Sherif El-Basil and   
                 Milan Randi\'c   Equivalence of Mathematical Objects of
                                  Interest in Chemistry and Physics  . . . 239--290
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 291--298
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 25, 1994

                David M. Bishop   Aspects of Non-Linear Optical
                                  Calculations . . . . . . . . . . . . . . 1--45
                  P. P. Schmidt   The Mechanics of Ionic Motion in
                                  Molecular Channels . . . . . . . . . . . 47--139
               Peter M. W. Gill   Molecular Integrals over Gaussian Basis
                                  Functions  . . . . . . . . . . . . . . . 141--205
           Wolfgang Förner   Soliton Dynamics in trans-Polyacetylene  207--252
         Ramon Carbó and   
            Blanca Calabuig and   
                Leonel Vera and   
            Emili Besalú   Molecular Quantum Similarity:
                                  Theoretical Framework, Ordering
                                  Principles, and Visualization Techniques 253--313
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 315--320
                      Anonymous   Advisory Editors . . . . . . . . . . . . ??
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 26, 1995

              P. Lazzeretti and   
            M. Defranceschi and   
                    G. Berthier   Rototranslational and Virial Sum Rules
                                  for Geometrical Derivatives of
                                  Second-Order Properties and Nuclear
                                  Electric Hypershieldings . . . . . . . . 1--34
       Michaël Deleuze and   
            Joseph Delhalle and   
            Barry T. Pickup and   
              Jean-Louis Calais   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    35--98
                Sason Shaik and   
            Philippe C. Hiberty   Valence Bond Mixing and Curve Crossing
                                  Diagrams in Chemical Reactivity and
                                  Bonding  . . . . . . . . . . . . . . . . 99--163
                     Yi Luo and   
           Hans Ågren and   
      Poul Jòrgensen and   
              Kurt V. Mikkelsen   Response Theory and Calculations of
                                  Molecular Hyperpolarizabilities  . . . . 165--237
                  Peter Raychev   Quantum Groups: Application to Nuclear
                                  and Molecular Spectroscopy . . . . . . . 239--357
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 359--367
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 27, 1996

                   F. A. Matsen   Freeon Dynamics: a Novel Theory of Atoms
                                  and Molecules  . . . . . . . . . . . . . 1--70
           Hans Ågren and   
               Olav Vahtras and   
                   Boris Minaev   Response Theory and Calculations of
                                  Spin-Orbit Coupling Phenomena in
                                  Molecules  . . . . . . . . . . . . . . . 71--162
                  Paul G. Mezey   Functional Groups in Quantum Chemistry   163--222
            Manoj K. Mishra and   
              Milan N. Medikeri   Characterization of Shape and Auger
                                  Resonances Using The Dilated One
                                  Electron Propagator Method . . . . . . . 223--295
               Bernd Engels and   
           Leif A. Eriksson and   
                    Sten Lunell   Recent Developments in Configuration
                                  Interaction and Density Functional
                                  Theory Calculations of Radical Hyperfine
                                  Structure  . . . . . . . . . . . . . . . 297--369
           Per-Olov Löwdin   Some Properties of Linear Functionals
                                  and Adjoint Operators  . . . . . . . . . 371--397
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 399--407
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--ix
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Dedication . . . . . . . . . . . . . . . viii--viii
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                    The Editors   Apology  . . . . . . . . . . . . . . . . viii--viii
           Per-Olov Löwdin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 28, 1997

                    Jacek Kobus   Diatomic Molecules: Exact Solutions of
                                  HF Equations . . . . . . . . . . . . . . 1--14
                Xiangzhu Li and   
                   Josef Paldus   Perturbation Theory for Low-Spin
                                  Open-Shell States  . . . . . . . . . . . 15--32
               C. Valdemoro and   
                  L. M. Tel and   
         E. Pérez-Romero   The Contracted Schrödinger Equation ---
                                  Some Results . . . . . . . . . . . . . . 33--46
                  S. Wilson and   
                   D. Moncrieff   Distributed Gaussian Basis Sets: Some
                                  Recent Results and Prospects . . . . . . 47--63
                B. T. Sutcliffe   The Nuclear Motion Problem in Molecular
                                  Physics  . . . . . . . . . . . . . . . . 65--80
     Florian Müller-Plathe   Combining Quantum Chemistry and
                                  Molecular Simulation . . . . . . . . . . 81--87
            Kaline Coutinho and   
                  Sylvio Canuto   Solvent Effects from a Sequential
                                  Monte-Carlo --- Quantum Mechanical
                                  Approach . . . . . . . . . . . . . . . . 89--105
                  John R. Sabin   Energy Deposition of Swift Alphas in
                                  Neon: An Electron Nuclear Dynamics Study 107--118
           Robert Moszynski and   
         Tino G. A. Heijmen and   
          Paul E. S. Wormer and   
              Ad van der Avoird   Theoretical Modeling of Spectra and
                                  Collisional Processes of Weakly
                                  Interacting Complexes  . . . . . . . . . 119--140
                  Mati Karelson   Quantum Chemical Treatment of Molecules
                                  in Condensed Disordered Media  . . . . . 141--157
 Dorota Bieli\'nska-W\ka\.z and   
                Jacek Karwowski   Determining the Shapes of Molecular
                                  Electronic Bands from Their Intensity
                                  Distribution Moments . . . . . . . . . . 159--169
             Tatiana Korona and   
           Robert Moszynski and   
             Bogumi\l Jeziorski   Convergence of Symmetry-Adapted
                                  Perturbation Theory for the Interaction
                                  Between Helium Atoms and Between a
                                  Hydrogen Molecule and a Helium Atom  . . 171--188
             M. Klobukowski and   
         G. H. F. Diercksen and   
 J. M. García de la Vega   Electron Affinity of SF$_6$  . . . . . . 189--203
            C. Lavín and   
                      I. Martin   The Oxonium Rydberg Radical: Electronic
                                  Transitions  . . . . . . . . . . . . . . 205--218
      Borislava Batandjieva and   
    Ingrid Miadoková and   
         Ivan Cernu\vsák   An \em ab initio study of four-membered
                                  rings. Boranes HBXYBH; (X, $ {Y} $ = C,
                                  N, O)  . . . . . . . . . . . . . . . . . 219--234
               Rudolf Janoschek   SiN$_2$ and SiN$_4$ Molecules: An ab
                                  Initio Study of Molecular and Electronic
                                  Structure, Stability, and IR Activity    235--245
               P. W. Fowler and   
              S. A. Peebles and   
                    A. C. Legon   A Sternheimer-Like Response Property of
                                  the Bromine Molecule: Electric Field
                                  Dependence of the Br Field Gradient  . . 247--256
               Maria Barysz and   
                 Miroslav Urban   Molecular Properties of Boron-Coinage
                                  Metal Dimers: BCu, BAg, BAu  . . . . . . 257--272
               E. Kochanski and   
              R. Kelterbaum and   
                   S. Klein and   
               M. M. Rohmer and   
                    A. Rahmouni   Decades of Theoretical Work on
                                  Protonated Hydrates  . . . . . . . . . . 273--291
           Oscar N. Ventura and   
          Martina Kieninger and   
                 Kenneth Irving   Density Functional Theory: a Useful Tool
                                  for the Study of Free Radicals . . . . . 293--309
                 B. G. Wybourne   Guesses --- Hunches --- Formulae ---
                                  Discoveries  . . . . . . . . . . . . . . 311--318
                F. J. Smith and   
                M. Sullivan and   
                  J. Collis and   
                    S. Loughlin   Applying Artificial Intelligence in
                                  Physical Chemistry . . . . . . . . . . . 319--328
              W\lodzis\law Duch   Artificial Intelligence Support for
                                  Computational Chemistry  . . . . . . . . 329--343
           P. L. Kilpatrick and   
                    N. S. Scott   Abstract Data Types In The Construction
                                  Of Knowledge-Based Quantum Chemistry
                                  Software . . . . . . . . . . . . . . . . 345--359
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 361--370
                      Anonymous   Contributors . . . . . . . . . . . . . . xii--xiv
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Conference Participants  . . . . . . . . xvii--xviii
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
          Geerd H. F. Diercksen   Introductory Remarks . . . . . . . . . . xix--xix
            Jacek Karwowski and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . xv--xvi


Advances in Quantum Chemistry
Volume 29, 1997

              Arne Rosén   Twenty to thirty years of DV--X$ \alpha
                                  $ calculations: a survey of accuracy and
                                  applications . . . . . . . . . . . . . . 1--47
                Hirohiko Adachi   Electronic State Calculation of
                                  Transition Metal Cluster . . . . . . . . 49--81
                  H. Yukawa and   
                    M. Morinaga   The Nature of the Chemical Bond in
                                  Hydrogen Storage Compounds . . . . . . . 83--108
                  B. Fricke and   
                 W.-D. Sepp and   
                  T. Bastug and   
                   S. Varga and   
                 K. Schulze and   
                   J. Anton and   
                    V. Pershina   Use of the DV--X$ \alpha $-Method in the
                                  Field of Superheavy Atoms  . . . . . . . 109--121
                Rika Sekine and   
         Hirohide Nakamatsu and   
           Takeshi Mukoyama and   
                   Jun Onoe and   
              Masaru Hirata and   
         Masayoshi Kurihara and   
                Hirohiko Adachi   Electronic Structures of Metal Carbides
                                  TiC and UC: Similarity and Dissimilarity 123--136
              Gennady L. Gutsev   Numerical Pseudopotentials within DV--X$
                                  \alpha $ Framework . . . . . . . . . . . 137--157
              Ágnes Nagy   Density Functional Theory for Excited
                                  States . . . . . . . . . . . . . . . . . 159--178
                Hirohiko Adachi   Theoretical Calculation of Molecular
                                  Photoelectron Spectrum by the
                                  First-Principles DV--X$ \alpha $
                                  Molecular Orbital Method . . . . . . . . 179--192
             Hitoshi Kimura and   
             Syunji Imanaga and   
         Yoshinori Hayafuji and   
                Hirohiko Adachi   The Electronic Structure of Silicon
                                  Clusters . . . . . . . . . . . . . . . . 193--206
                      I. Cserny   Studies of the Valence Band of
                                  Tetrahedral Oxyanions  . . . . . . . . . 207--232
                  Y. Kowada and   
                    D. E. Ellis   Application of the Embedded Cluster
                                  Method to the Electronic State of
                                  Silicate Glasses . . . . . . . . . . . . 233--251
            Masao Takahashi and   
               Gao-Chao Lai and   
             Katsuhiro Ohta and   
              Fumikazu Kanamaru   Bond Strength and Thermal Stability of
                                  Transition Metal Nitrides  . . . . . . . 253--268
        Kimichika Fukushima and   
                   Hiroshi Endo   Electronic States of Impurities and
                                  Their Effect on Material Properties  . . 269--283
            Masao Morishita and   
            Koichiro Koyama and   
           Akinori Hatamoto and   
          Masahiko Morinaga and   
                Hirohiko Adachi   Electronic States of Oxygen Ions of
                                  Molten Slags Used for Iron and Steel
                                  Making . . . . . . . . . . . . . . . . . 285--296
           Takeshi Mukoyama and   
            Kazuo Taniguchi and   
                Hirohiko Adachi   X-Ray Emission in Molecules  . . . . . . 297--328
                      Jun Kawai   DV--X$ \alpha $ Calculation of X-Ray
                                  Emission Spectra . . . . . . . . . . . . 329--355
          Seiichi Yamashita and   
            Manabu Fujiwara and   
                  Yuko Kato and   
           Toshio Yamaguchi and   
            Hisanobu Wakita and   
                Hirohiko Adachi   X-Ray Absorption Near Edge Structure
                                  Study and DV--X$ \alpha $ Calculations
                                  on Some Square-planar Copper(II)
                                  Complexes with Macrocyclic Ligands . . . 357--371
          Eberhard Hartmann and   
             Christa Lauterbach   Scattered-Wave Description of
                                  Inner-Shell Processes in Small Molecules
                                  and Clusters . . . . . . . . . . . . . . 373--387
                     M. Uda and   
                T. Yamamoto and   
                    T. Takenaga   Resonant Orbital Rearrangement During F
                                  $ 1 s $ Ionization or Decay Process  . . 389--419
          Zs. Kovács and   
       L. Kövér and   
                      H. Adachi   Charge Transfer in Al--Ni Alloys: a
                                  Spin-Selective Study . . . . . . . . . . 421--431
                  G. Paragi and   
I. K. Gyémánt and   
                      Zs. Varga   Core-electron binding energy shifts in
                                  aluminium  . . . . . . . . . . . . . . . 433--439
        Kazuyoshi Ogasawara and   
                Isao Tanaka and   
                Hirohiko Adachi   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 . . 441--466
                         M. Uda   Concluding Remarks . . . . . . . . . . . 467--469
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 471--481
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xiii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           L. Kövér   Foreword . . . . . . . . . . . . . . . . xv--xvi


Advances in Quantum Chemistry
Volume 30, 1998

                  Carl Nordling   Four Decades of Atomic Physics: a Review
                                  of Ingvar Lindgren's Career Until Now    1--4
               Norman F. Ramsey   Spectroscopy with Highly Coherent
                                  Radiation  . . . . . . . . . . . . . . . 5--18
            William D. Phillips   Atoms in Optical Lattices: Cooling,
                                  Trapping and Squeezing Atoms with Light  19--39
             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   Coherent Quantum State Manipulation of
                                  Trapped Atomic Ions  . . . . . . . . . . 41--64
         J. T. Höffges and   
              H. W. Baldauf and   
                 T. Eichler and   
             S. R. Helmfrid and   
                     H. Walther   Resonance Fluorescence of a Single Ion   65--75
                     Peter Mohr   Quantum Electrodynamics and the
                                  Fundamental Constants  . . . . . . . . . 77--97
               Vernon W. Hughes   High Precision Spectroscopy of
                                  Positronium and Muonium  . . . . . . . . 99--123
               Gerhard Soff and   
                   T. Beier and   
                 M. Greiner and   
                 H. Persson and   
                     G. Plunien   Quantum Electrodynamics of Strong
                                  Fields: Status and Perspectives  . . . . 125--161
      Uttam Sinha Mahapatra and   
              Barnali Datta and   
        Barun Bandyopadhyay and   
             Debashis Mukherjee   State-Specific Multi-reference Coupled
                                  Cluster Formulations: Two Paradigms  . . 163--193
                 Walter Greiner   Correlations in the Vacuum . . . . . . . 195--208
                    S. Svanberg   High-Power Lasers and Their Applications 209--233
              Arne Rosén   A Periodic Table in Three Dimensions: a
                                  Sightseeing Tour in the Nanometer World  235--272
                  B. Fricke and   
                   J. Anton and   
                 K. Schulze and   
                 W.-D. Sepp and   
                P. Kürpick   Relativistic and Dynamic Contributions
                                  in Ion-Atom and Ion-Solid Collisions . . 273--282
                U. Berzinsh and   
                    S. Svanberg   Atomic Radiative Lifetimes Measured by
                                  Pulsed Laser Spectroscopy in the UV/VUV
                                  Spectral Region  . . . . . . . . . . . . 283--299
                 Yaming Zou and   
                Tomas Brage and   
               Indrek Martinson   A Theoretical and Experimental Study of
                                  the Quartet System of $ {B} $ $ {I} $    301--310
                D. Hanstorp and   
                G. Haeffler and   
     A. E. Klinkmüller and   
               U. Ljungblad and   
                U. Berzinsh and   
               I. Yu. Kiyan and   
                     D. J. Pegg   Two Electron Dynamics in Photodetachment 311--334
                  J. R. Persson   Collinear Laser Spectroscopy on
                                  Radioactive Isotopes . . . . . . . . . . 335--342
    Martin G. H. Gustavsson and   
Ann-Marie Mårtensson-Pendrill   Four Decades of Hyperfine Anomalies  . . 343--360
              Curt Ekström   Spins and Moments of Nuclei Far from
                                  Stability Determined by On-Line
                                  Atomic-Beam Techniques . . . . . . . . . 361--378
               Hans Persson and   
            Sten Salomonson and   
                 Per Sunnergren   Regularization Corrections to the
                                  Partial-Wave Renormalization Procedure   379--392
            L. N. Labzowsky and   
                   M. A. Tokman   The Reference State Coulomb-Breit QED
                                  Corrections for the Few-Electron Highly
                                  Charged Ions . . . . . . . . . . . . . . 393--413
           Per-Olov Löwdin   Some Aspects on the Bloch--Lindgren
                                  Equation and a Comparison with the
                                  Partitioning Technique . . . . . . . . . 415--432
                      J. Sucher   What Is the Force Between Electrons? . . 433--443
             L. R. Pendrill and   
                  L. Robertsson   Atomic Physics and the Laser Metrology
                                  of Time and Length . . . . . . . . . . . 445--468
      H. Rubinsztein-Dunlop and   
             T. A. Nieminen and   
            M. E. J. Friese and   
               N. R. Heckenberg   Optical Trapping of Absorbing Particles  469--492
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 493--506
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--xii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
               Dag Hanstorp and   
                   Hans Persson   Preface  . . . . . . . . . . . . . . . . xiii--xiii


Advances in Quantum Chemistry
Volume 31, 1998

                B. T. Sutcliffe   Quantum Systems in Chemistry and
                                  Physics: Some Hopes and Fears  . . . . . 1--13
                    Roy McWeeny   Separability of Quantum Systems: a
                                  Density Matrix Approach  . . . . . . . . 15--35
               C. Valdemoro and   
     M. P. de Lara-Castells and   
     E. Pérez-Romero and   
                      L. M. Tel   The first order contracted density
                                  equations: correlation effects . . . . . 37--52
             Ya. I. Delchev and   
               A. I. Kuleff and   
               Jean Maruani and   
                   R. L. Pavlov   A Consistent Calculation of Atomic
                                  Energy Shell Corrections: Strutinsky's
                                  Method in the Hartree--Fock--Roothaan
                                  Scheme . . . . . . . . . . . . . . . . . 53--73
          J. Má\vsik and   
                     I. Huba\vc   Multireference Brillouin--Wigner
                                  Coupled-Cluster Theory: Single-Root
                                  Approach . . . . . . . . . . . . . . . . 75--104
           Tanja Van Mourik and   
           Angela K. Wilson and   
           Kirk A. Peterson and   
              David E. Woon and   
           Thom H. Dunning, Jr.   The Effect of Basis Set Superposition
                                  Error (BSSE) on the Convergence of
                                  Molecular Properties Calculated with the
                                  Correlation Consistent Basis Sets  . . . 105--135
                   I. G. Kaplan   Role of Electron Correlation in
                                  Nonadditive Forces and \em ab initio
                                  Model Potentials for Small Metal
                                  Clusters . . . . . . . . . . . . . . . . 137--156
               D. Moncrieff and   
                      S. Wilson   Distributed Gaussian Basis Sets in
                                  Correlation Energy Studies: The Second
                                  Order Correlation Energy for the Ground
                                  State of the Hydrogen Molecule . . . . . 157--172
               Jacek Rychlewski   Explicitly Correlated Functions in
                                  Molecular Quantum Chemistry  . . . . . . 173--199
                     John Avery   Many-Electron Sturmians as an
                                  Alternative to the SCF--CI Method  . . . 201--229
          Cornelia Kozmutza and   
                  Ern\Ho Tfirst   A Study of Weakly Interacting Systems in
                                  Localized Representation, Including the
                                  Many-Body Effect . . . . . . . . . . . . 231--250
              E. Gianinetti and   
                 I. Vandoni and   
                A. Famulari and   
                    M. Raimondi   Extension of the SCF--MI Method to the
                                  Case of $K$ Fragments, one of which is
                                  an Open-Shell System . . . . . . . . . . 251--266
    Thorstein Thorsteinsson and   
                   Sten Rettrup   Parallelization of the CI Program PEDICI 267--282
              A. S. Shalabi and   
                      S. Wilson   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  . . . 283--311
                 Uzi Kaldor and   
                  Ephraim Eliav   High-Accuracy Calculations for Heavy and
                                  Super-Heavy Elements . . . . . . . . . . 313--336
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 337--345
                      Anonymous   Advisory Editors . . . . . . . . . . . . ??
                      Anonymous   Contributors Volume 31 . . . . . . . . . xi--xiii
                      Anonymous   Contents Volume 31 . . . . . . . . . . . ix--x
                      Anonymous   Contributors Volume 32 . . . . . . . . . xi--xiii
                      Anonymous   Workshop Participants  . . . . . . . . . xvii--xix
                      S. Wilson   Preface  . . . . . . . . . . . . . . . . xv--xvi


Advances in Quantum Chemistry
Volume 32, 1998

               H. M. Quiney and   
                  H. Skaane and   
                    I. P. Grant   Ab Initio Relativistic Quantum
                                  Chemistry: Four Components Good, Two
                                  Components Bad!  . . . . . . . . . . . . 1--49
            David L. Cooper and   
    Thorstein Thorsteinsson and   
                 Joseph Gerratt   Modern VB Representations of CASSCF Wave
                                  Functions and the Fully Variational
                                  Optimization of Modern VB Wave Functions
                                  Using the CASVB Strategy . . . . . . . . 51--67
          Apostolos Kalemos and   
             Aristides Mavridis   On the Electronic Structure of ScB$^+$:
                                  Ground and Low-Lying Excited States  . . 69--91
                A. Szarecka and   
                     G. Day and   
                P. J. Grout and   
                      S. Wilson   On the Effects of Basis Set Truncation
                                  and Electron Correlation in Conformers
                                  of 2-Hydroxy-acetamide . . . . . . . . . 93--107
            Marcin Hoffmann and   
         Agnieszka Szarecka and   
               Jacek Rychlewski   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  . . . . . . . . . . 109--125
               Carlo Petrongolo   Recent Theoretical Developments in
                                  Conical-Intersection Effects in
                                  Triatomic Spectra  . . . . . . . . . . . 127--144
              Y. G. Smeyers and   
               M. L. Senent and   
                       M. Villa   \em Ab initio Determination of Band
                                  Structures of Vibrational Spectra of
                                  Nonrigid Molecules: Applications to
                                  Methylamine and Dimethylamine  . . . . . 145--166
                  R. G. Woolley   Gauge Invariance and Multipole Moments   167--180
                  I. Martin and   
            C. Lavín and   
    Y. Pérez-Delgado and   
               J. Karwowski and   
             G. H. F. Diercksen   Vertical Electron Transitions in Rydberg
                                  Radicals . . . . . . . . . . . . . . . . 181--196
          V. Véniard and   
                R. Ta\"\ieb and   
                      A. Maquet   Time-Dependent Quantum Treatment of
                                  Two-Colour Multiphoton Ionization Using
                                  a Strong Laser Pulse and High-Order
                                  Harmonic Radiation . . . . . . . . . . . 197--205
               Miroslaw Bylicki   Methods Involving Complex Coordinates
                                  Applied to Atoms . . . . . . . . . . . . 207--226
           Claudio Amovilli and   
            Vincenzo Barone and   
              Roberto Cammi and   
              Eric Canc\`es and   
             Maurizio Cossi and   
         Benedetta Mennucci and   
       Christian S. Pomelli and   
                  Jacopo Tomasi   Recent Advances in the Description of
                                  Solvent Effects with the Polarizable
                                  Continuum Model  . . . . . . . . . . . . 227--261
                M. Raimondi and   
                A. Famulari and   
              E. Gianinetti and   
                  M. Sironi and   
                R. Specchio and   
                     I. Vandoni   New ab Initio VB Interaction Potential
                                  for Molecular Dynamics Simulation of
                                  Liquid Water . . . . . . . . . . . . . . 263--284
             G. J. A. Keith and   
                P. J. Grout and   
                      S. Wilson   Systematic Sequences of Even-Tempered
                                  Gaussian Primitives for Diatomic
                                  Molecules in Solution: a Preliminary
                                  Study Using Continuum Solvation Models   285--313
                 Jan Linderberg   Beyond the Transition State Treatment    315--330
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 331--338
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contents Volume 31 . . . . . . . . . . . xi--xii
                      Anonymous   Contributors Volume 32 . . . . . . . . . vii--ix
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Workshop Participants  . . . . . . . . . xvii--xix
                      S. Wilson   Preface  . . . . . . . . . . . . . . . . xv--xvi


Advances in Quantum Chemistry
Volume 33, 1998

             John P. Perdew and   
         Matthias Ernzerhof and   
                 Ales Zupan and   
                   Kieron Burke   Why Density-Gradient Corrections Improve
                                  Atomization Energies and Barrier Heights 1--9
           Stanislav Ivanov and   
                       Mel Levy   Second-Order Relations Involving
                                  Correlation Energy and Its Functional
                                  Derivative . . . . . . . . . . . . . . . 11--29
                T. Kreibich and   
                   S. Kurth and   
                   T. Grabo and   
                 E. K. U. Gross   Asymptotic Properties of the Optimized
                                  Effective Potential  . . . . . . . . . . 31--48
        E. V. Ludeña and   
      R. López-Boada and   
                V. Karasiev and   
                    R. Pino and   
              E. Valderrama and   
               J. Maldonado and   
                   R. Colle and   
                       J. Hinze   Recent Developments in the Local-Scaling
                                  Transformation Version of Density
                                  Functional Theory  . . . . . . . . . . . 49--70
                   R. K. Nesbet   In Search of the Correlation Potential   71--83
                   A. Gonis and   
           T. C. Schulthess and   
            P. E. A. Turchi and   
                      J. van Ek   The $n$-Particle Picture and the
                                  Calculation of the Electronic Structure
                                  of Atoms, Molecules, and Solids  . . . . 85--104
                A. Lembarki and   
         H. Razafinjanahary and   
               H. Chermette and   
                    F. Rogemond   Gradient-Corrected Exchange Potential
                                  Functional with the Correct Asymptotic
                                  Behaviour  . . . . . . . . . . . . . . . 105--130
                   J. K. Percus   Auxiliary Field Representation of
                                  Fermion Kinetic Energy Density
                                  Functional . . . . . . . . . . . . . . . 131--150
           Leonard Kleinman and   
                 D. M. Bylander   Using the Exact Kohn--Sham Exchange
                                  Energy Density Functional and Potential
                                  to Study Errors Introduced by
                                  Approximate Correlation Functionals  . . 151--165
            Brett I. Dunlap and   
               Robert W. Warren   Quantum Chemical Molecular Dynamics  . . 167--187
             Maziar Nekovee and   
           W. M. C. Foulkes and   
           A. J. Williamson and   
               G. Rajagopal and   
                    R. J. Needs   A Quantum Monte Carlo Approach to the
                                  Adiabatic connection Method  . . . . . . 189--207
               R. N. Schmid and   
                   E. Engel and   
             R. M. Dreizler and   
                   P. Blaha and   
                     K. Schwarz   Full Potential
                                  Linearized-Augmented-Plane-Wave
                                  Calculations for $ 5 d $ Transition
                                  Metals Using the Relativistic
                                  Generalized Gradient Approximation . . . 209--223
                   Xavier Gonze   Interatomic Force Constants in Periodic
                                  Solids from Density Functional
                                  Perturbation Theory  . . . . . . . . . . 225--239
               Viraht Sahni and   
            Alexander Solomatin   Recent Developments in the Electronic
                                  Structure of Metal Surfaces  . . . . . . 241--271
                  T. Mineva and   
                  N. Neshev and   
                   N. Russo and   
                 E. Sicilia and   
                     M. Toscano   Density Functional Orbital Reactivity
                                  Indices: Fundamentals and Applications   273--292
             Peter Politzer and   
                       Pat Lane   Density Functional Calculations of
                                  Reaction Energetics: Application to
                                  Alkyl Azide Decomposition  . . . . . . . 293--302
               P. Geerlings and   
                F. De Proft and   
                 W. Langenaeker   Density Functional Theory: a Source of
                                  Chemical Concepts and a Cost-Effective
                                  Methodology for Their Calculation  . . . 303--328
               L. M. Molina and   
         M. J. López and   
                   A. Rubio and   
        L. C. Balbás and   
                   J. A. Alonso   Pure and Mixed Pb Clusters of Interest
                                  for Liquid Ionic Alloys  . . . . . . . . 329--348
                 Ewa Broc\lawik   Density Functional Theory in Catalysis:
                                  Activation and Reactivity of a
                                  Hydrocarbon Molecule on a Metallic
                                  Active Site  . . . . . . . . . . . . . . 349--367
                  Ewa Broctawik   Density Functional Theory in Catalysis:
                                  Activation and Reactivity of a
                                  Hydrocarbon Molecule on a Metallic
                                  Active site  . . . . . . . . . . . . . . 349--367
               Frank C. Sanders   Recent Developments in High-precision
                                  Computational Methods for Simple Atomic
                                  and Molecular Systems  . . . . . . . . . 369--387
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 389--398
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xiv
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors Volum 33  . . . . . . . . . xi--xiv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
             Jorge M. Seminario   Preface  . . . . . . . . . . . . . . . . xv--xviii


Advances in Quantum Chemistry
Volume 34, 1999

                    David Craig   A Journey with Good Companions. Fifty
                                  years of Quantum Chemistry . . . . . . . 1--50
                D. E. Ellis and   
              Diana Guenzburger   The Discrete Variational Method in
                                  Density-Functional Theory and Its
                                  Applications to Large Molecules and
                                  Solid-State Systems  . . . . . . . . . . 51--141
          C. David Sherrill and   
          Henry F. Schaefer III   The Configuration Interaction Method:
                                  Advances in Highly Correlated Approaches 143--269
         David E. Bernholdt and   
             Rodney J. Bartlett   A Critical Assessment of
                                  Multireference-Fock Space CCSD and
                                  Perturbative Third-Order Triples
                                  Approximations for Photoelectron Spectra
                                  and Quasidegenerate Potential Energy
                                  Surfaces . . . . . . . . . . . . . . . . 271--293
              Piotr Piecuch and   
             Rodney J. Bartlett   EOMXCC: a New Coupled-Cluster Method for
                                  Electronic Excited States  . . . . . . . 295--380
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 381--388
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 35, 1999

                 Jan Linderberg   Yngve Öhrn, Scientist, Leader, and Friend 1--19
                   Erik Deumens   Teaching Quantum Mechanics . . . . . . . 21--31
                    J. V. Ortiz   Toward an Exact One-Electron Picture of
                                  Chemical Bonding . . . . . . . . . . . . 33--52
               Ricardo L. Longo   Spin Density Properties from the
                                  Electron Propagator: Hyperfine and
                                  Nuclear Spin-Spin Couplings  . . . . . . 53--76
              M. S. Deleuze and   
                L. S. Cederbaum   The New Challenges of the Theory of
                                  Ionization for Polymers and Solids . . . 77--94
        Beno\^\it Champagne and   
            David H. Mosley and   
          Joseph G. Fripiat and   
        Jean-Marie AndrÉ   Towards the Calculations of
                                  Polarizabilities of Stereoregular
                                  Polymers . . . . . . . . . . . . . . . . 95--110
       Christof Hättig and   
          Poul Jòrgensen   Dispersion Coefficients for Second
                                  Hyperpolarizabilities Using
                                  Coupled-Cluster Cubic Response Theory    111--148
               Hideo Sekino and   
             Rodney J. Bartlett   On the Extensivity Problem in
                                  Coupled-Cluster Property Evaluation  . . 149--173
        R. Cabrera-Trujillo and   
              John R. Sabin and   
              J. Oddershede and   
            Stephan P. A. Sauer   The Bethe Sum Rule and Basis Set
                                  Selection in the Calculation of
                                  Generalized Oscillator Strengths . . . . 175--192
Morten Òstergaard Jensen and   
                 Aage E. Hansen   The Molecular Magnetic Shielding Field:
                                  Response Graph Illustrations of the
                                  Benzene Field  . . . . . . . . . . . . . 193--215
                  B. Weiner and   
                  S. B. Trickey   Time-Dependent Variational Principle in
                                  Density Functional Theory  . . . . . . . 217--247
              Jeffrey L. Krause   Quantum Control in Semiconductor
                                  Heterostructures . . . . . . . . . . . . 249--260
          Vandana K. Mishra and   
                Manoj K. Mishra   Selective Photodynamic Control of
                                  Chemical Reactions: a Rayleigh--Ritz
                                  Variational Approach . . . . . . . . . . 261--281
                    Jack Simons   Semi-Classical Pictures of Non-Adiabatic
                                  Induced Electron Ejection in Molecular
                                  Anions . . . . . . . . . . . . . . . . . 283--316
                 David A. Micha   Density Matrix Treatment of Electronic
                                  Rearrangement  . . . . . . . . . . . . . 317--337
                  S. Lunell and   
                J. W. Gauld and   
                R. M. Kadam and   
                 Y. Itagaki and   
                        A. Lund   Theoretical and Experimental Studies of
                                  the Benzene Radical Cation: Effects of
                                  Selective Deuteration  . . . . . . . . . 339--355
           Marshall G. Cory and   
       Krassimir K. Stavrev and   
              Michael C. Zerner   A Theoretical Study of the (Fe$_2$ ($
                                  \mu -
                                  S_2$)(P(o-C$_6$H$_4$S)$_3$)$_2$)$^{2-}$
                                  Electronic Spectrum  . . . . . . . . . . 357--369
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 371--380
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--viii
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--viii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                H. A. Kurtz and   
                J. V. Ortiz and   
                    J. R. Sabin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 36, 1999

                 C. Barbier and   
                Gaston Berthier   Half a Century of Hybridization  . . . . 1--25
Sándor Fliszár and   
        Edouard C. Vauthier and   
                Vincenzo Barone   Core and Valence Electrons in
                                  Atom-by-Atom Descriptions of Molecules   27--44
                Carlo Adamo and   
           Andrea di Matteo and   
                Vincenzo Barone   From Classical Density Functionals to
                                  Adiabatic Connection Methods. the State
                                  of the Art . . . . . . . . . . . . . . . 45--75
                 Shubin Liu and   
             Frank De Proft and   
          Ágnes Nagy and   
                 Robert G. Parr   Exchange-Energy Density Functionals as
                                  Linear Combinations of Homogeneous
                                  Functionals of Density . . . . . . . . . 77--91
                  T. Marino and   
                   N. Russo and   
                 E. Sicilia and   
                 M. Toscano and   
                      T. Mineva   Density Functional Computations and Mass
                                  Spectrometric Measurements. Can This
                                  Coupling Enlarge the Knowledge of
                                  Gas-Phase Chemistry? . . . . . . . . . . 93--120
                 I. Baraldi and   
          Fabio Momicchioli and   
               G. Ponterini and   
                     D. Vanossi   A Recent Development of the CS INDO
                                  Model: Treatment of Solvent Effects on
                                  Structures and Optical Properties of
                                  Organic Dyes . . . . . . . . . . . . . . 121--150
           Augusto Rastelli and   
              Remo Gandolfi and   
            Mirko Sarzi Amad\`e   Regioselectivity and
                                  Diastereoselectivity in the 1,3-Dipolar
                                  Cycloadditions of Nitrones with
                                  Acrylonitrile and Maleonitrile: The
                                  Origin of Endo/Exo Selectivity . . . . . 151--167
            Simone Morpurgo and   
                Mario Bossa and   
            Giorgio O. Morpurgo   Solvent-Mediated Proton Transfer
                                  Reactions in Cytosine: An Ab Initio
                                  Study  . . . . . . . . . . . . . . . . . 169--183
          Werner Kutzelnigg and   
         Pasquale von Herigonte   Electron Correlation at the Dawn of the
                                  $ 21^{\rm st} $ Century  . . . . . . . . 185--229
                Xiangzhu Li and   
         Ireneusz Grabowski and   
            Karol Jankowski and   
                   Josef Paldus   Approximate Coupled Cluster Methods:
                                  Combined Reduced Multireference and
                                  Almost-Linear Coupled Cluster Methods
                                  with Singles and Doubles . . . . . . . . 231--251
                Yves G. Smeyers   The Half Projected Hartree--Fock Model
                                  for Determining Singlet Excited States   253--270
           Celestino Angeli and   
          Christian Rolando and   
                Mich\`ele Suard   Complexation of Transition Metal Cations
                                  (Sc$^+$, Fe$^+$, Cu$^+$) by One Cyanide
                                  Radical  . . . . . . . . . . . . . . . . 271--282
        Alessandro Ferretti and   
            Alessandro Lami and   
               Giovanni Villani   On the Photophysics of Molecules with
                                  Charge-Transfer Excitations Between
                                  Aromatic Rings . . . . . . . . . . . . . 283--300
       Mariangela Di Donato and   
          Raffaele Borrelli and   
          Amedeo Capobianco and   
           Guglielmo Monaco and   
            Roberto Improta and   
            Meziane Brahimi and   
                  Andrea Peluso   Proton Assisted Electron Transfer  . . . 301--322
           Fabrizio Santoro and   
               Carlo Petrongolo   Lanczos Calculation of the $^2$A$_1$
                                  /Ã$^2$ B$_2$ nonadiabatic Franck--Condon
                                  absorption spectrum of NO$_2$  . . . . . 323--340
         Vincenzo Aquilanti and   
         Gabriella Capecchi and   
              Simonetta Cavalli   Hyperspherical Coordinates for Chemical
                                  Reaction Dynamics  . . . . . . . . . . . 341--363
                    Roy McWeeny   On the Einstein--Podolsky--Rosen Paradox 365--384
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 385--394
                      Anonymous   Biographic Notes . . . . . . . . . . . . xix--xxii
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xiv
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial board  . . . . . . . . . . . . ??
            Alessandro Lami and   
                Vincenzo Barone   Preface  . . . . . . . . . . . . . . . . xv--xvii


Advances in Quantum Chemistry
Volume 37, 2000

                Hirohiko Adachi   Theoretical Analysis of X-Ray and
                                  Electron Spectra by DV-X$ \alpha $
                                  Method . . . . . . . . . . . . . . . . . 1--29
                   Masayuki Uda   Extended Analysis of Satellite
                                  Structures in Particle Induced X-Ray
                                  Emission Spectra Using Molecular Orbital
                                  Calculations . . . . . . . . . . . . . . 31--55
        Mitsutoshi Yokomizo and   
           Tsutomu Kurisaki and   
           Toshio Yamaguchi and   
            Hisanobu Wakita and   
         Yoshio Oka-Inagaki and   
                 Kazuchika Ohta   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)  57--68
        Kazuyoshi Ogasawara and   
          Masateru Yamamoto and   
               Takugo Ishii and   
               Hidenori Ida and   
            Hirohiko Adachi and   
                    Isao Tanaka   Separation of the Effects of Charge
                                  Transfer, Covalency, and Electron
                                  Correlations on the Multiplet Structure
                                  of Ruby Based on First-Principles
                                  Cluster Calculations . . . . . . . . . . 69--83
               Takugo Ishii and   
        Kazuyoshi Ogasawara and   
                 Yukiko Ito and   
                Isao Tanaka and   
                Hirohiko Adachi   First-Principles Calculation for
                                  Multiplet Structure of Emerald . . . . . 85--96
                 Yukiko Ito and   
                Isao Tanaka and   
               Takugo Ishii and   
        Kazuyoshi Ogasawara and   
                Hirohiko Adachi   The Effect of Intrinsic Trigonal
                                  Distortion on the Multiplet Structures
                                  of Ruby and Emerald  . . . . . . . . . . 97--110
         Hirohide Nakamatsu and   
               Takeshi Mukoyama   Assignment of Ce XANES Spectra for
                                  CeO$_2$ and CeO$_{1.75}$ and Effect of
                                  Oxygen Vacancy . . . . . . . . . . . . . 111--125
               Akio Shigemi and   
         Hirohide Nakamatsu and   
           Takeshi Mukoyama and   
                  Shigero Ikeda   CO Shakeup Calculations with the DV-X$
                                  \alpha $ Method  . . . . . . . . . . . . 127--137
           Takeshi Mukoyama and   
            Kazuo Taniguchi and   
                Hirohiko Adachi   K$ \beta $ /K$ \alpha $ X-Ray Intensity
                                  Ratios in $ 3 d $ Elements by
                                  Photoionization and Electron-Capture
                                  Decay  . . . . . . . . . . . . . . . . . 139--151
               Shuji Matsuo and   
           Toshio Yamaguchi and   
                Hisanobu Wakita   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 153--162
            Masao Morishita and   
            Koichiro Koyama and   
            Tadayoshi Kikko and   
          Masahiko Morinaga and   
                Hirohiko Adachi   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  . . . . . . . . . . 163--177
           Myung Chul Chang and   
                   Soo-Chang Yu   The Electronic States in Ca-Doped
                                  BaTiO$_3$ Ceramics . . . . . . . . . . . 179--191
             Hiroshi Yukawa and   
              Masahiko Morinaga   Characteristics of Electronic Structures
                                  in Hydrogen Storage Alloys . . . . . . . 193--212
                    Isao Tanaka   Application of DV-X$ \alpha $
                                  Calculations in Ceramics Science . . . . 213--227
          Yasunari Fujimoto and   
                   Masayuki Uda   Prediction of Change in the Work
                                  Functions Due to Stacking Faults in Mg,
                                  Ti, Co, Cu, and Zn . . . . . . . . . . . 229--235
                Rika Sekine and   
              Kumiko Tanaka and   
                   Jun Onoe and   
             Kazuo Takeuchi and   
             Hirohide Nakamatsu   Analysis of chemical bond in metal
                                  clusters: I. Alkali metal and alkaline
                                  earth metals . . . . . . . . . . . . . . 237--254
            Kimichika Fukushima   Electronic Structure Calculations to
                                  Determine the Effects of Impurities on
                                  Ceramic Properties . . . . . . . . . . . 255--270
           Yoshiyuki Kowada and   
                    D. E. Ellis   Embedded Cluster Models for Electronic
                                  States of Silicate Glasses . . . . . . . 271--290
               Hyunju Chang and   
                     Jae Do Lee   Electronic Structure of Ti$_4$O$_7$
                                  Using DV-X$ \alpha $ Cluster Calculation
                                  Method . . . . . . . . . . . . . . . . . 291--300
            Shinji Kawasaki and   
                Fujio Okino and   
           Hidekazu Touhara and   
                   Ning Liu and   
              Toyohisa Nakajima   The electronic structures of graphite
                                  and fullerene, and their compounds . . . 301--309
                       Jun Onoe   Atomic-Number Dependence of Relativistic
                                  Effects on Chemical Bonding  . . . . . . 311--323
              Masaru Hirata and   
              Turgut Bastug and   
          Shoichi Tachimori and   
                Rika Sekine and   
                   Jun Onoe and   
             Hirohide Nakamatsu   Relativistic Density Functional
                                  Calculations for Potential Energy Curves
                                  of Uranyl Nitrate Hydrate  . . . . . . . 325--333
              Masaru Hirata and   
          Shoichi Tachimori and   
                Rika Sekine and   
                   Jun Onoe and   
             Hirohide Nakamatsu   Electronic Structures and Chemical
                                  Bonding of Actinyl Nitrates Dihydrates   335--351
              Turgut Bastug and   
              Masaru Hirata and   
                 Sven Varga and   
            Burkhard Fricke and   
         Sakir Erkoç and   
               Takeshi Mukoyama   Molecular-Dynamics Simulations of Gold
                                  Clusters . . . . . . . . . . . . . . . . 353--364
               Katsumi Nakagawa   Bond Index and Energy Partition Method
                                  for DV-X$ \alpha $ . . . . . . . . . . . 365--374
              Kumiko Tanaka and   
                Rika Sekine and   
                   Jun Onoe and   
             Hirohide Nakamatsu   On Role of the $ 3 d $ Atomic Orbital in
                                  the Chemical Bonding of Sulfur Fluorides 375--383
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 385--393
                  H. Adachi and   
                     M. Uda and   
                      R. Sekine   Preface  . . . . . . . . . . . . . . . . xv--xvi
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xiii


Advances in Quantum Chemistry
Volume 38, 2000

   Ramon Carbó-Dorca and   
        Emili Besalú and   
          Xavier Gironés   Extended Density Functions . . . . . . . 1--63
              Joachim Brand and   
            Lorenz S. Cederbaum   Theory of Extended Two-Particle Green's
                                  Functions  . . . . . . . . . . . . . . . 65--120
               S. Ramasesha and   
             Swapan K. Pati and   
                   Z. Shuai and   
            J. L. Brédas   The Density Matrix Renormalization Group
                                  Method: Application to the Low-lying
                                  Electronic States in Conjugated Polymers 121--215
            Roman F. Nalewajski   Coupling Constant Integration Analysis
                                  of Density Functionals for Subsystems    217--277
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 279--287
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
                  John R. Sabin   Obituary --- Michael Charles Zerner  . . viii--ix


Advances in Quantum Chemistry
Volume 39, 2001

                Jens Peder Dahl   Density Matrices and Phase-Space
                                  Functions  . . . . . . . . . . . . . . . 1--18
                Janos Ladik and   
               Ferenc Bogar and   
                 Vick Van Doren   Correlation Corrected Hartree--Fock and
                                  Density Functional Computations on
                                  Periodic Polymers  . . . . . . . . . . . 19--34
                 Á. Nagy   Effective Potential of a Single Excited
                                  State along the Adiabatic Path . . . . . 35--46
               P. Tz. Yotov and   
            F. E. Zakhariev and   
             Ya. I. Delchev and   
                     J. Maruani   Gradient Corrections to the
                                  Kinetic-Energy Density Functional
                                  Stemming from a Regular Two-Component
                                  Relativistic Hamiltonian . . . . . . . . 47--55
                 Boris P. Zapol   An attempt to realise the constrained
                                  search approach in the density
                                  functional theory  . . . . . . . . . . . 57--70
         Vincenzo Aquilanti and   
                     John Avery   Sturmian Expansions for Quantum
                                  Mechanical Many-Body Problems and
                                  Hyperspherical Harmonics . . . . . . . . 71--102
         Vincenzo Aquilanti and   
          Simonetta Cavalli and   
             Dario De Fazio and   
               Alessandro Volpi   The A + BC Reaction by the
                                  Hyperquantization Algorithm: The
                                  Symmetric Hyperspherical Parametrization
                                  for $ J > 0 $ . . . . . . . . . . . . . . 103--121
             V. N. Glushkov and   
                      S. Wilson   Distributed Gaussian Basis Sets:
                                  Variationally Optimized $s$-Type Sets    123--143
           I. Martín and   
              A. M. Velasco and   
                C. Lavín   Similarities in the Rydberg Spectra of
                                  the Isovalent Radicals CH$_3$ and
                                  SiH$_3$  . . . . . . . . . . . . . . . . 145--162
             Y. S. Tergiman and   
      M. C. Bacchus-Montabonnel   Theoretical study of charge transfer
                                  mechanism in N$^{4+}$ $+$ He collisions
                                  at keV energies  . . . . . . . . . . . . 163--170
                Arie Landau and   
              Ephraim Eliav and   
                     Uzi Kaldor   Intermediate Hamiltonian Fock-Space
                                  Coupled-Cluster Method . . . . . . . . . 171--188
      Gian Luigi Bendazzoli and   
            Stefano Evangelisti   Full CI Solution of Perturbative
                                  Equations  . . . . . . . . . . . . . . . 189--207
                   I. Hubac and   
                      S. Wilson   On the Generalized Brillouin--Wigner
                                  Perturbation Theory and the Many-Body
                                  Problem  . . . . . . . . . . . . . . . . 209--223
                 I. Huba\vc and   
                    P. Mach and   
                      S. Wilson   Multireference Brillouin--Wigner Methods
                                  for Many-Body Systems  . . . . . . . . . 225--240
               H. M. Quiney and   
             V. N. Glushkov and   
                      S. Wilson   The Dirac Equation in the Algebraic
                                  Approximation. VII. A Comparison of
                                  Molecular Finite Difference and Finite
                                  Basis Set Calculations Using Distributed
                                  Gaussian Basis Sets  . . . . . . . . . . 241--259
        Marius Jonas Vilkas and   
              Yasuyuki Ishikawa   Relativistic Multireference
                                  Mòller--Plesset Perturbation Theory
                                  Calculations for the Term Energies and
                                  Transition Probabilities of Ions in the
                                  Nitrogen Isoelectronic Sequence  . . . . 261--293
               R. L. Pavlov and   
               A. I. Kuleff and   
               P. Tz. Yotov and   
                     J. Maruani   Reduced Density-Matrix Treatment of
                                  Spin-Spin Interaction Terms in
                                  Many-Electron Systems  . . . . . . . . . 295--305
                 J. Maruani and   
                 A. Khoudir and   
                  A. Kuleff and   
                   M. Tronc and   
                  G. Giorgi and   
                    C. Bonnelle   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$_6$ . . . . . . . . . . . . . . . . . 307--324
                Wenjian Liu and   
  Christoph van Wüllen and   
              Young Kyu Han and   
            Yoon Jeong Choi and   
                   Yoon Sup Lee   Spectroscopic Constants of Pb and
                                  Eka-Lead Compounds: Comparison of
                                  Different Approaches . . . . . . . . . . 325--355
          V. M. León and   
           M. Martín and   
                L. Sandoval and   
                       A. Palma   Floquet States and Operator Algebra  . . 357--366
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 367--381
                      Anonymous   Contributors volume 39 . . . . . . . . . xi--xiii
                      Anonymous   Contributors volume 39 . . . . . . . . . xxi--xxiii
                      Anonymous   Contents volume 40 . . . . . . . . . . . xv--xx
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xxv--xxvi
                      Anonymous   Workshop Participants  . . . . . . . . . xxvii--xxxi
            E. Brändas and   
                   O. Goscinski   Preface  . . . . . . . . . . . . . . . . xxv--xxvi


Advances in Quantum Chemistry
Volume 40, 2001

                    Roy McWeeny   Symbols in Science . . . . . . . . . . . 1--16
                Brian Sutcliffe   Some Mathematical Problems in the
                                  Description of Dissociating Molecules    17--36
            David L. Cooper and   
             Nick J. Clarke and   
         Phillip C. Stancil and   
               Bernard Zygelman   Recent Applications of Spin-Coupled
                                  Valence Bond Theory to Charge Transfer
                                  Collisions . . . . . . . . . . . . . . . 37--48
                C. Kozmutza and   
                  E. Tfirst and   
                I. G. Csizmadia   Ab Initio Program for Treatment of
                                  Related Systems: Transferable Quantities
                                  of Localized Molecular Orbitals  . . . . 49--77
         Eugene S. Kryachko and   
                Minh Tho Nguyen   Thiouracils: Structures, Tautomerism,
                                  Interaction with Water, and Functioning
                                  in RNA and Modified DNA Base Pairs . . . 79--102
                       O. Tapia   Towards a Rigged Born--Oppenheimer
                                  Electronic Theory of Chemical Processes  103--131
                H. U. Suter and   
                  B. Engels and   
                      S. Lunell   Was H$_2$$^-$ observed in solid H$_2$? A
                                  theoretical answer . . . . . . . . . . . 133--142
            Elena S. Apostolova   $D$-Parameter of the Morse Potential as
                                  a New Bond Index for Estimating Bond
                                  Breaking Energy in a Molecule  . . . . . 143--159
                  Y. Girard and   
                     P. Chaquin   Effects of halogen substituents on the
                                  conformations of vinyl alcohol and vinyl
                                  thiol: a theoretical study . . . . . . . 161--177
         C. Perez del Valle and   
                R. Lefebvre and   
                      O. Atabek   Localization of Energy Exchanges in
                                  Field-Assisted Double-Barrier Resonant
                                  Tunneling  . . . . . . . . . . . . . . . 179--190
            Boris F. Minaev and   
               Hans Ågren   Spin Uncoupling in Chemical Reactions    191--211
           Peter Cronstrand and   
               Hans Ågren   Assignment and Convergence of IR Spectra
                                  for a Sequence of Polypyridine Oligomers 213--223
                L. J. Dunne and   
             E. J. Brändas   $D$-Wave Bipolaronic Condensate with
                                  Short Range Repulsive Electronic
                                  Correlations in an Extended Hubbard
                                  Model of High-T$_c$ Cuprate
                                  Superconductors  . . . . . . . . . . . . 225--247
               Vipin Srivastava   Orthogonalization of Vectors and Its
                                  Relation to Cognitive Phenomena  . . . . 249--255
               I. G. Kaplan and   
            Szczepan Roszak and   
             Jerzy Leszczynskin   Binding in Clusters with Closed-Subshell
                                  Atoms (Alkaline-Earth Elements)  . . . . 257--278
               A. I. Kuleff and   
                 J. Maruani and   
                  P. P. Raychev   Reproduction of Metal-Cluster Magic
                                  Numbers Using a $q$-Deformed,
                                  $3$-Dimensional, Harmonic Oscillator
                                  Model  . . . . . . . . . . . . . . . . . 279--304
                   Ulf Saalmann   Reaction Dynamics of Metallic Clusters
                                  Colliding with Atoms . . . . . . . . . . 305--322
                T. Alferova and   
               S. Andersson and   
                 N. Elander and   
                   S. Levin and   
                    E. Yarevsky   Finite-Element Three-Body Studies of
                                  Bound and Resonant States in Atoms and
                                  Molecules  . . . . . . . . . . . . . . . 323--344
                D. C. Moule and   
              W. Fraessdorf and   
       C. Muñoz-Caro and   
                 A. Niño   A computer simulation of the ring
                                  puckering and oxygen wagging dynamics in
                                  the S$_0$ state of cyclobutanone . . . . 345--359
          Mikhail V. Ivanov and   
               Peter Schmelcher   Finite-Difference Calculations for Atoms
                                  and Diatomic Molecules in Strong
                                  Magnetic and Static Electric Fields  . . 361--379
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 381--395
                      Anonymous   Contents volume 39 . . . . . . . . . . . xv--xx
                      Anonymous   Contributors Volume 40 . . . . . . . . . xi--xiii
                      Anonymous   Contents Volume 39 . . . . . . . . . . . xv--xx
                      Anonymous   Contributors Volume 39 . . . . . . . . . xxi--xxiii
                      Anonymous   Contributors volume 40 . . . . . . . . . xxi--xxv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ii--iii
                      Anonymous   Workshop Participants  . . . . . . . . . xxvii--xxxi
            E. Brändas and   
                   O. Goscinski   Preface  . . . . . . . . . . . . . . . . xxv--xxvi


Advances in Quantum Chemistry
Volume 41, 2002

            Göran Karlsson   The scientific, educational and
                                  internationalization influence of
                                  Per-Olov Löwdin . . . . . . . . . . . . . 1--8
                   Sven Larsson   Partitioning technique in electron
                                  transfer and excitation energy transfer  9--33
                Yngve Öhrn   Density, density matrix, or propagator   35--49
              Osvaldo Goscinski   Conjugate eigenvalue problems and
                                  generalized Sturmians  . . . . . . . . . 51--56
              Osvaldo Goscinski   Appendix. Preliminary research report $
                                  217 $ (1968) . . . . . . . . . . . . . . 57--85
                 Jan Linderberg   Approximate propagator for the radial
                                  Dirac problem  . . . . . . . . . . . . . 87--106
                    M. Berrondo   Learning differential calculus without
                                  limits . . . . . . . . . . . . . . . . . 107--120
          Erkki J. Brändas   Dissipative systems and microscopic
                                  selforganization . . . . . . . . . . . . 121--138
                 David A. Micha   From few-atom to many-atom quantum
                                  dynamics . . . . . . . . . . . . . . . . 139--159
              Sylvio Canuto and   
            Kaline Coutinho and   
               Daniel Trzesniak   New developments in Monte Carlo/quantum
                                  mechanics methodology. The
                                  solvatochromism of $ \beta $-carotene in
                                  different solvents . . . . . . . . . . . 161--183
                 Piotr Froelich   Quantum chemistry of antimatter  . . . . 185--202
                 P. Persson and   
          R. Bergström and   
             L. Ojamäe and   
                      S. Lunell   Quantum-chemical studies of metal oxides
                                  for photoelectrochemical applications    203--263
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--ix
             Jan Linderberg and   
            Yngve Öhrn and   
                  John R. Sabin   Advancing quantum chemistry: Per-Olov
                                  Löwdin 1916--2000 . . . . . . . . . . . . x--xv


Advances in Quantum Chemistry
Volume 42, 2003

            Hirohiko Adachi and   
            Kazuyoshi Ogasawara   Many-electron theory for electronic
                                  transition process --- Its importance in
                                  materials science  . . . . . . . . . . . 1--22
                  Taketo Sakuma   Grain boundary plasticity and failure in
                                  oxide ceramics at high temperatures  . . 23--33
                D. E. Ellis and   
                   O. Warschkow   Toward structure-function relations ---
                                  a hybrid quantum/classical approach  . . 35--66
               Takugo Ishii and   
        Kazuyoshi Ogasawara and   
                Hirohiko Adachi   Many-electron calculation for the
                                  analysis of optical absorption spectra
                                  in Cr$^{4+}$-doped solid-state laser
                                  crystals . . . . . . . . . . . . . . . . 67--76
                     M. Sob and   
                 H. Sormann and   
                   J. Kuriplach   Theoretical calculations of positron
                                  annihilation characteristics in
                                  inorganic solids --- Recent advances and
                                  problems . . . . . . . . . . . . . . . . 77--108
            Masataka Mizuno and   
               Hideki Araki and   
                Yasuharu Shirai   Theoretical calculation of positron
                                  lifetimes for defects in solids  . . . . 109--126
                 M. Alatalo and   
                    M. J. Puska   Recent advances in the calculations for
                                  momentum distributions of annihilating
                                  electron-positron pairs in solids  . . . 127--143
            Yukinori Koyama and   
                Isao Tanaka and   
                Hirohiko Adachi   Electronic structures and electrode
                                  potentials of layered lithium insertion
                                  electrodes by the first principles
                                  calculation  . . . . . . . . . . . . . . 145--161
               Jyunju Chang and   
              Youngmin Choi and   
                     Jae Do Lee   Electronic structure of chromium
                                  aluminum oxide . . . . . . . . . . . . . 163--173
               Fumiyasu Oba and   
                Isao Tanaka and   
                Hirohiko Adachi   Electronic states associated with bond
                                  disorder at ZnO grain boundaries . . . . 175--186
               Tokuro Nanba and   
           Tatsuya Hagiwara and   
                Yoshinari Miura   Chemical bonding state of sodium
                                  silicates  . . . . . . . . . . . . . . . 187--198
              Tomoyuki Yamamoto   First principles calculations of
                                  pressure-induced structural phase
                                  transition of Co . . . . . . . . . . . . 199--207
                  Shinichi Itoh   Electronic structure of Er doped GaAs    209--214
             H. Nakatsugawa and   
                  E. Iguchi and   
                      Y. Oohara   Electronic structures of Sr$_{1 -
                                  x}$La$_x$RuO$_3$ . . . . . . . . . . . . 215--222
            Kimichika Fukushima   DV--X$ \alpha $ cluster calculations of
                                  spin-states in hydrogen and Cu oxide
                                  clusters . . . . . . . . . . . . . . . . 223--238
                   K. Takai and   
                   M. Seike and   
                  K. Tanaka and   
                    Y. Hayafuji   New pseudo-binary titanium silicide
                                  systems for lowering phase
                                  transformation temperature . . . . . . . 239--261
             Hiroshi Yukawa and   
              Shigeyuki Ito and   
          Daisuke Yamashita and   
              Masahiko Morinaga   Local electronic structures of hydrogen
                                  and phase stability of vanadium hydride,
                                  V$_2$H . . . . . . . . . . . . . . . . . 263--273
            Wataru Takahara and   
              Hiroshi Maeda and   
               Fumiyoshi Minami   Superconducting transition temperature
                                  of Laves phase V$_2$Zr compounds with
                                  alloyed magnetic elements  . . . . . . . 275--281
           Takeshi Mukoyama and   
                   Masayuki Uda   A new approach to electron transition
                                  during inner-shell ionization  . . . . . 283--297
      JoséLuis Mozos and   
       Pablo Ordejón and   
             Mads Brandbyge and   
              Jeremy Taylor and   
                   Kurt Stokbro   Density functional theory calculations
                                  of quantum electron transport: carbon
                                  nanotubes-gold contacts  . . . . . . . . 299--314
                     Yi Liu and   
             Hiroshi Yukawa and   
              Masahiko Morinaga   Energetics and chemical bonding of
                                  lithium absorbed carbon nanotubes  . . . 315--330
László Kövér   Interpreting Auger spectra in cluster
                                  approximation  . . . . . . . . . . . . . 331--352
               Yasuji Muramatsu   Theoretically predicted soft X-ray
                                  emission and absorption spectra of
                                  graphitic-structured BC$_2$N . . . . . . 353--361
                 Á. Nagy   Theories for excited states  . . . . . . 363--381
          Erkki J. Brändas   New perspectives in theoretical chemical
                                  physics  . . . . . . . . . . . . . . . . 383--397
                Y. Nakajima and   
                 M. Hoshino and   
               D. Yamashita and   
                         M. Uda   Near edge structures of Mg-, Co-, Cu-
                                  and Zn-tetraphenylporphyrins measured by
                                  PESA and calculated with DV--X$ \alpha $ 399--405
               Shuji Matsuo and   
              Kaori Shirozu and   
            Yuichi Tateishi and   
            Hisanobu Wakita and   
               Takushi Yokoyama   Theoretical analysis of XANES for
                                  aqueous aluminum salt solutions  . . . . 407--417
               D. Yamashita and   
                Y. Nakajima and   
               H. Nakamatsu and   
                         M. Uda   Self-absorption correction for Mn, Fe
                                  and Cu L X-ray spectra based on MO
                                  calculations . . . . . . . . . . . . . . 419--427
                Yoshiyuki Sakai   First-principles analysis of tunneling
                                  spectra for rutile TiO$_2$ (110) surface
                                  with oxygen vacancies  . . . . . . . . . 429--438
              Noboru Esashi and   
             Yasuhiko Ohama and   
             Yoshinori Hayafuji   Electronic structures of silicon
                                  clusters with vacancies  . . . . . . . . 439--451
                Yoko Uchida and   
               Tomoko Jimbo and   
               D. Yamashita and   
                         M. Uda   Density of states of Cu with stacking
                                  faults . . . . . . . . . . . . . . . . . 453--463
             Sunao Sugihara and   
          Masahiro Yamamoto and   
             Takamasa Isobe and   
                    Yukio Yutoh   Analysis of wetting property of
                                  electrode metal on A1N at their
                                  interface using discrete variational-X$
                                  \alpha $ . . . . . . . . . . . . . . . . 465--474
                  H. Adachi and   
                     M. Uda and   
                      H. Wakita   Preface  . . . . . . . . . . . . . . . . xvii--xvii
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xvi
                      Anonymous   Editorial Board  . . . . . . . . . . . . ii--iii


Advances in Quantum Chemistry
Volume 43, 2003

               Robert K. Nesbet   Local and Nonlocal Potential Functions
                                  in Density Functional Theory . . . . . . 1--23
             Robert van Leeuwen   Density Functional Approach to the
                                  Many-Body Problem: Key Concepts and
                                  Exact Functionals  . . . . . . . . . . . 25--94
            Ingvar Lindgren and   
                Sten Salomonson   Differentiability in Density-Functional
                                  Theory . . . . . . . . . . . . . . . . . 95--117
            Roman F. Nalewajski   Electronic Structure and Chemical
                                  Reactivity: Density Functional and
                                  Information-Theoretic Perspectives . . . 119--184
                 John Avery and   
                    James Avery   Kramers Pairs in Configuration
                                  Interaction  . . . . . . . . . . . . . . 185--206
                 John Avery and   
                James Avery and   
              Osvaldo Goscinski   Natural Orbitals from Generalized
                                  Sturmian Calculations  . . . . . . . . . 207--216
                    T. Miyazaki   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.
                                  40 (2001) 133) . . . . . . . . . . . . . 217--218
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--vii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--ix
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 44, 2003

              Isaac B. Bersuker   A Unique Jahn--Teller Mechanism of all
                                  the Symmetry Breakings in Molecular
                                  Systems and Condensed Matter . . . . . . 1--12
                 B. R. Judd and   
                       Edwin Lo   Icosahedral Quarks . . . . . . . . . . . 13--19
               E. D. Savage and   
                  G. E. Stedman   Antilinear Particle--Hole Conjugation
                                  Operators in Jahn--Teller Theory . . . . 21--43
        Giuseppe Bevilacqua and   
           Liana Martinelli and   
   Giuseppe Pastori Parravicini   Renner--Teller Interaction Matrices and
                                  Green's Function Formalism . . . . . . . 45--57
                Victor Polinger   Tunneling in Jahn--Teller Systems and
                                  Multidimensional WKB Approximation . . . 59--88
                Huanming Li and   
         Victor Z. Polinger and   
            Janette L. Dunn and   
                 Colin A. Bates   Tunneling Path and Ground State
                                  Crossover in Linear $ T \otimes (e
                                  \oplus t_2) $ and Quadratic $ G \otimes
                                  (g \oplus h) $ Jahn--Teller Systems  . . 89--102
                    M. Baer and   
     Á. Vibók and   
        G. J. Halász and   
                    D. J. Kouri   The Electronic Non-Adiabatic Coupling
                                  Terms: On the Connection between
                                  Molecular Physics and Field Theory . . . 103--118
             Eugene S. Kryachko   Nonadiabatic Coupling: General Features
                                  and Relation to Molecular Properties . . 119--133
              V. Hizhnyakov and   
              V. Boltrushko and   
                  H. Kaasik and   
                      I. Sildos   Jahn--Teller Effect in the Excited
                                  State: Anomalous Temperature Dependence
                                  of the Zero-Phonon Line  . . . . . . . . 135--149
              V. Hizhnyakov and   
                      H. Kaasik   Critical Dependence of Multiphonon
                                  Transitions on Interaction Strength and
                                  Temperature  . . . . . . . . . . . . . . 151--168
             Faten Al-Hazmi and   
         Victor Z. Polinger and   
            Janette L. Dunn and   
             Colin A. Bates and   
            Elie A. Moujaes and   
           Michel Abou-Ghantous   Non-Condon Correction to Franck--Condon
                                  Values of Second-order Reduction
                                  Factors: The Cubic $ {T} $ Term  . . . . 169--182
               Erwin Lijnen and   
               Arnout Ceulemans   Embedding of the K$_{10}$ Graph on a
                                  Surface with Seven Cross-caps and the
                                  Icosahedral $ H \otimes 2 h$
                                  Jahn--Teller Surface . . . . . . . . . . 183--198
             H. Köppel and   
            I. Bâldea and   
                   P. G. Szalay   Combined Jahn--Teller and
                                  Pseudo-Jahn--Teller Effects in the
                                  Benzene Radical Cation . . . . . . . . . 199--217
                   P. W. Fowler   Symmetry Aspects of Distortivity in $
                                  \pi $ Systems  . . . . . . . . . . . . . 219--237
                 Tohru Sato and   
          Yasutaka Kuzumoto and   
               Ken Tokunaga and   
             Hideaki Tanaka and   
                Hiroshi Imahori   Jahn--Teller Effect in Circulenes  . . . 239--255
               Takashi Kato and   
                 Kazuyuki Hirao   Vibronic Interactions and Jahn--Teller
                                  Effects in Charged Hydrocarbons  . . . . 257--271
                F. Cimpoesu and   
                   K. Hirao and   
                 N. Stanica and   
                     V. Chihaia   The Spin Hamiltonian Effective Approach
                                  to the Vibronic Effects-Selected Cases   273--288
         Martin Lüders and   
                  Nicola Manini   Jahn--Teller Distortions and Excitation
                                  Energies in C$_{60}$$^{n+}$  . . . . . . 289--304
             A. V. Nikolaev and   
                   K. H. Michel   Many Electron- and Hole Terms of
                                  Molecular Ions C$_{60}$$^{n \pm }$ . . . 305--312
                 Tatsuhisa Kato   Cage Structure Distortion of Fullerenes  313--317
              S. S. Sookhun and   
                C. A. Bates and   
                 J. L. Dunn and   
                       W. Diery   Multiple Occupancy of Triply Degenerate
                                  States in Icosahedral Symmetry . . . . . 319--334
                I. D. Hands and   
                 J. L. Dunn and   
                    C. A. Bates   Vibronic-induced Shifts in the Optical
                                  Spectra of Doped Fullerenes  . . . . . . 335--353
                M. Atanasov and   
                      D. Reinen   A DFT Based Parameterization of the
                                  Vibronic Mixing between Two
                                  Non-degenerate Electronic States and the
                                  Application to $ s^2$-lone Pairs . . . . 355--368
                F. Cimpoesu and   
                       K. Hirao   The Ab Initio Analytical Approach of
                                  Vibronic Quantities: Application to
                                  Inorganic Stereochemistry  . . . . . . . 369--387
             Serguei A. Borshch   Vibronic Interactions in High Nuclearity
                                  Clusters . . . . . . . . . . . . . . . . 389--400
            I. Ya. Ogurtsov and   
                      V. Mirzac   On the Jahn--Teller Origin of the
                                  Phosphorus Molecule P$_4$ Activation by
                                  One- and Two-Electron Reduction  . . . . 401--412
              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   Magnetic Properties of a Low Symmetry $
                                  d^5 $ Complex: An Adiabatic
                                  Pseudo-Jahn--Teller Problem  . . . . . . 413--428
                E. Coronado and   
              S. Klokishner and   
                     O. Reu and   
                  B. Tsukerblat   Pseudo-Jahn--Teller Origin of the
                                  Metastable States in Sodium
                                  Nitroprusside  . . . . . . . . . . . . . 429--444
             J. A. Aramburu and   
             M. T. Barriuso and   
P. García Fernández and   
                      M. Moreno   Jahn--Teller Ions in Cubic Crystals
                                  Explored Through DFT Calculations  . . . 445--459
  Philip L. W. Tregenna-Piggott   Analysis of the EPR and Raman Scattering
                                  of Copper(II) Doped CaO  . . . . . . . . 461--481
          Yurii V. Yablokov and   
Maria A. Augustyniak-Jablokow and   
           Michael Hitchman and   
                    Dirk Reinen   The Mechanisms of Jahn--Teller Complex
                                  Reorientations . . . . . . . . . . . . . 483--496
              A. Ya Fishman and   
               M. A. Ivanov and   
            T. E. Kurennykh and   
               A. S. Lahtin and   
                L. L. Surat and   
                V. B. Vykhodets   Diffusion in Concentrated Jahn--Teller
                                  Systems  . . . . . . . . . . . . . . . . 497--508
                 R. Acevedo and   
                C. Portillo and   
                 G. Navarro and   
                     T. Meruane   Spectral Intensities in Cubic
                                  Stoichiometric Elpasolites: The
                                  Cs$_2$NaSmCl$_6$ and Cs$_2$NaEuCl$_6$
                                  Systems  . . . . . . . . . . . . . . . . 509--525
                C. N. Avram and   
          Gh. E. Draganescu and   
                    N. M. Avram   Jahn--Teller Effect in Laser Crystal
                                  LiCaAlF$_6$ $ \colon $ Cr$^{3+}$ . . . . 527--534
               Shugo Suzuki and   
             Tadahiko Chida and   
                    Kenji Nakao   Electron Correlation and Jahn--Teller
                                  Effect in Alkali-Metal-Doped C$_{60}$    535--554
                  N. Kristoffel   Vibronic Renormalization of
                                  Superconductivity Gaps in a Two-Band
                                  Model of Cuprates  . . . . . . . . . . . 555--561
                  I. Gordon and   
                  P. Wagner and   
          V. V. Moshchalkov and   
            Y. Bruynseraede and   
                 L. Pinsard and   
                A. Revcolevschi   Orbital Ordering and the Cooperative
                                  Jahn--Teller Effect in Single Crystals
                                  of the Magnetic Perovskite La$_{7 /
                                  8}$Sr$_{1 / 8}$MnO$_3$ . . . . . . . . . 563--578
                S. P. Dolin and   
                A. A. Levin and   
           T. Yu Mikhailova and   
                    M. V. Solin   Low-Temperature Phase Transition and
                                  Structure of Ordered Phase in
                                  K$_3$H(SO$_4$)$_2$ (TKHS)-Family
                                  Materials  . . . . . . . . . . . . . . . 579--586
            A. E. Nikiforov and   
                    S. E. Popov   Cooperative Dynamical Effect in
                                  Rhombohedral LaMnO$_3$ . . . . . . . . . 587--598
              V. S. Mironov and   
            L. F. Chibotaru and   
                   A. Ceulemans   First-order Phase Transition in UO$_2$:
                                  The Interplay of the $ 5 f^2$--$ 5 f^2$
                                  Superexchange Interaction and
                                  Jahn--Teller Effect  . . . . . . . . . . 599--616
            Motohiro Nakano and   
      Gen-etsu Matsubayashi and   
                Takasuke Matsuo   Dynamic Jahn--Teller Character of
                                  Manganese(III) Spin-Crossover Complex
                                  [Mn(taa)] (H$_3$
                                  taa\doublebondtris(1-(2-azolyl)-2-azabuten-4-yl)amine) 617--630
Eva Majerníková and   
                     S. Shpyrko   Ground State of Quantum Jahn--Teller
                                  Model: Selftrapping vs. Correlated
                                  Phonon-assisted Tunneling  . . . . . . . 631--648
                L. F. Chibotaru   Microscopic Approach to Cooperative
                                  Jahn--Teller Effect in Crystals with
                                  Strong Intra-Site Vibronic Coupling  . . 649--667
                      Anonymous   Anniversary Isaac Bersuker 75  . . . . . xxxiii--xxxvi
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--xvi
                      Anonymous   Contributors . . . . . . . . . . . . . . xvii--xxii
                      Anonymous   Obituary Frank Ham (1928--2002)  . . . . xxvii--xxxi
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xxiii--xxv


Advances in Quantum Chemistry
Volume 45 (part 1), 2004

   Remigio Cabrera-Trujillo and   
                  John R. Sabin   The Theory and Computation of Energy
                                  Deposition Properties  . . . . . . . . . 1--5
               P. L. Grande and   
                   G. Schiwietz   Ionization and Energy Loss Beyond
                                  Perturbation Theory  . . . . . . . . . . 7--46
    Néstor R. Arista and   
    Agustín F. Lifschitz   Non-Linear Approach to the Energy Loss
                                  of Ions in Solids  . . . . . . . . . . . 47--77
              M. J. Caturla and   
       A. Gras Martí and   
J. J. Jiménez-Rodríguez and   
  J.-C. Jiménez Saez and   
M.-C. Pérez-Martín   Molecular Dynamics Simulations of Energy
                                  Deposition in Solids . . . . . . . . . . 79--98
        R. Cabrera-Trujillo and   
                J. R. Sabin and   
                 E. Deumens and   
                   Y. Öhrn   Dynamical Processes in Stopping Cross
                                  Sections . . . . . . . . . . . . . . . . 99--124
                 V. A. Khodyrev   The Treatment of Energy Loss in Terms of
                                  Induced Current Density  . . . . . . . . 125--158
                  E. J. McGuire   The Use of Green's Functions in the
                                  Calculation of Proton Stopping Power . . 159--174
              R. C. Monreal and   
                      F. Flores   Charge Exchange Processes in Low Energy
                                  Ion-Metal Collisions . . . . . . . . . . 175--199
R. Díez Muiño and   
                       A. Arnau   Nonlinear Screening and Electron Capture
                                  Processes of Ions in Metals  . . . . . . 201--221
                 M. Alducin and   
                 J. I. Juaristi   Energy Loss in the Interaction of Atomic
                                  Particles with Solid Surfaces  . . . . . 223--245
              J. M. Pitarke and   
             I. G. Gurtubay and   
                  V. U. Nazarov   Nonlinear, Band-Structure, and Surface
                                  Effects in the Interaction of Charged
                                  Particles with Solids  . . . . . . . . . 247--275
          Richard J. Mathar and   
              S. B. Trickey and   
                  John R. Sabin   Electronic Stopping and Momentum Density
                                  of Diamond from First-Principles
                                  Treatment of the Microscopic Dielectric
                                  Function . . . . . . . . . . . . . . . . 277--288
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--viii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xi--xi


Advances in Quantum Chemistry
Volume 46 (part 2), 2004

                A. Sarasola and   
              R. H. Ritchie and   
                 E. Zaremba and   
                P. M. Echenique   Density Functional Theory-based Stopping
                                  Power for $3$D and $2$D Systems  . . . . 1--28
         K. T\Hokési and   
                 X.-M. Tong and   
                  C. Lemell and   
             J. Burgdörfer   Friction Force for Charged Particles at
                                  Large Distances from Metal Surfaces  . . 29--64
F. J. García de Abajo and   
                    V. H. Ponce   Resonant-Coherent Excitation of
                                  Channeled Ions . . . . . . . . . . . . . 65--89
                   L. E. Porter   The Barkas-Effect Correction to
                                  Bethe--Bloch Stopping Power  . . . . . . 91--119
   Remigio Cabrera-Trujillo and   
              John R. Sabin and   
                Jens Oddershede   Molecular Stopping Powers from the
                                  Target Oscillator Strength Distribution  121--151
                Peter Bauer and   
                  Dieter Semrad   Chemical and Physical State Effects in
                                  Electronic Stopping  . . . . . . . . . . 153--163
         Lukás Pichl and   
          Robert J. Buenker and   
                   Mineo Kimura   Calculation of Cross-Sections for Proton
                                  and Antiproton Stopping in Molecules . . 165--193
           Salvador A. Cruz and   
               Jacques Soullard   Advances in the Core-and-Bond Formalism
                                  for Proton Stopping in Molecular Targets 195--239
                 Scott M. Cohen   Aspects of Relativistic Sum Rules  . . . 241--265
         István Nagy and   
         Barnabás Apagyi   Stopping Power of an Electron Gas for
                                  Heavy Unit Charges: Models in the
                                  Kinetic Approximation  . . . . . . . . . 267--291
             James W. Dufty and   
              Bernard Talin and   
                Annette Calisti   High $Z$ Ions in Hot, Dense Matter . . . 293--305
             N. Stolterfoht and   
                       B. Sulik   Interferences in Electron Emission from
                                  H$_2$ Induced by Fast Ion Impact . . . . 307--327
                   Hans Bichsel   Thoughts About Nanodosimetry . . . . . . 329--338
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--viii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                      Anonymous   Index  . . . . . . . . . . . . . . . . . xi--xi


Advances in Quantum Chemistry
Volume 47, 2004

       Sten O. Nilsson Lill and   
         Peter Dinér and   
           Daniel Pettersen and   
          Mohamed Amedjkouh and   
                    Per Ahlberg   Development of Chiral Catalysts for
                                  Stereoselective Synthesis by
                                  Deprotonations --- Experimentation in
                                  Interplay with Computational Chemistry   1--22
             A. Henningsson and   
                A. Stashans and   
                 A. Sandell and   
                  H. Rensmo and   
          S. Södergren and   
          H. Lindström and   
              L. Vayssieres and   
                A. Hagfeldt and   
                  S. Lunell and   
                    H. Siegbahn   Proton Insertion in Polycrystalline
                                  WO$_3$ Studied with Electron
                                  Spectroscopy and Semi-empirical
                                  Calculations . . . . . . . . . . . . . . 23--36
         Björn O. Roos and   
        Per-Åke Malmqvist   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 . . . . . . . . . . . . . . . . . 37--49
            Eudes E. Fileti and   
            Kaline Coutinho and   
                  Sylvio Canuto   Is There a Favorite Isomer for
                                  Hydrogen-Bonded Methanol in Water? . . . 51--63
                Guilin Duan and   
       Vedene H. Smith, Jr. and   
               Donald F. Weaver   Validation of the Applicability of Force
                                  Fields to Reproduce Ab Initio
                                  Noncovalent Interactions Involving
                                  Aromatic Groups  . . . . . . . . . . . . 65--92
          Erkki J. Brändas   Are Jordan Blocks Necessary for the
                                  Interpretation of Dynamical Processes in
                                  Nature?  . . . . . . . . . . . . . . . . 93--106
                   Brian Weiner   Antisymmetrized Geminal Power Coherent
                                  States . . . . . . . . . . . . . . . . . 107--127
                Frank E. Harris   Current Methods for Coulomb Few-Body
                                  Problems . . . . . . . . . . . . . . . . 129--155
                 John Avery and   
                James Avery and   
         Vincenzo Aquilanti and   
               Andrea Caligiana   Atomic Densities, Polarizabilities, and
                                  Natural Orbitals Derived from
                                  Generalized Sturmian Calculations  . . . 157--176
               Paolo Lazzeretti   Electric Field Gradient Effects on
                                  Magnetic Susceptibility  . . . . . . . . 177--191
           David Z. Goodson and   
              Alexey V. Sergeev   Singularity Structure of Mòller-Plesset
                                  Perturbation Theory  . . . . . . . . . . 193--208
              Monika Musial and   
     Stanislaw A. Kucharski and   
             Rodney J. Bartlett   Approximate Inclusion of the $ T_3 $ and
                                  $ R_3 $ Operators in the
                                  Equation-of-motion Coupled-cluster
                                  Method . . . . . . . . . . . . . . . . . 209--222
                Alejandro Palma   Operator Algebra: From Franck--Condon to
                                  Floquet Theory . . . . . . . . . . . . . 223--238
             Erik Sjöqvist   On the Alleged Nonlocal and Topological
                                  Nature of the Molecular Aharonov--Bohm
                                  Effect . . . . . . . . . . . . . . . . . 239--252
        R. Cabrera-Trujillo and   
              John R. Sabin and   
                 E. Deumens and   
                   Y. Öhrn   Calculation of Cross Sections in
                                  Electron-Nuclear Dynamics  . . . . . . . 253--274
                   O. Tapia and   
              Gustavo A. Arteca   Generalized Electronic Diabatic Ansatz:
                                  a Post-Born--Oppenheimer Approach to
                                  Electronuclear Dynamics in External
                                  Fields . . . . . . . . . . . . . . . . . 275--291
             David A. Micha and   
                Brian Thorndyke   The Quantum-Classical Density Operator
                                  for Electronically Excited Molecular
                                  Systems  . . . . . . . . . . . . . . . . 293--314
                Milan Trsic and   
     Wagner F. D. Angelotti and   
       Fábio A. Molfetta   The Generator Coordinate Method for
                                  Atomic and Molecular Systems: Revision
                                  and Further Developments . . . . . . . . 315--329
           E. Gindensperger and   
                   C. Meier and   
                  J. A. Beswick   Hybrid Quantum/Classical Dynamics Using
                                  Bohmian Trajectories . . . . . . . . . . 331--346
      Gian Luigi Bendazzoli and   
            Stefano Evangelisti   The Hückel Model of Polyacetylene
                                  Revisited: Asymptotic Analysis of
                                  Peierls Instability  . . . . . . . . . . 347--368
         Michael Springborg and   
                        Yi Dong   Conjugated Polymers in External DC
                                  Fields . . . . . . . . . . . . . . . . . 369--392
               Ofir E. Alon and   
            Vitali Averbukh and   
                Nimrod Moiseyev   Atoms, Molecules, Crystals and Nanotubes
                                  in Laser Fields: From Dynamical Symmetry
                                  to Selective High-Order Harmonic
                                  Generation of Soft X-Rays  . . . . . . . 393--421
                 F. Remacle and   
                 E. S. Kryachko   Small Gold Clusters Au$_{5 \leq n \leq
                                  8}$ and Their Cationic and Anionic
                                  Cousins  . . . . . . . . . . . . . . . . 423--464
                P. Froelich and   
                 S. Jonsell and   
                   A. Saenz and   
                S. Eriksson and   
                B. Zygelman and   
                    A. Dalgarno   Positron-Electron Annihilation in
                                  Hydrogen-Antihydrogen Collisions . . . . 465--480
                      Anonymous   Acknowledgement  . . . . . . . . . . . . xix--xix
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--xi
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xvi
                      Anonymous   List of publications of Osvaldo
                                  Goscinski  . . . . . . . . . . . . . . . xxiii--xxx
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xvii--xviii
                      Anonymous   Quantum Chemistry --- Theory, Models,
                                  and Computations . . . . . . . . . . . . xxi--xxii


Advances in Quantum Chemistry
Volume 48, 2005

                 Jan Linderberg   Bonding in the Perchlorate Anion and
                                  Radical  . . . . . . . . . . . . . . . . 1--8
            Filip Pawlowski and   
      Poul Jòrgensen and   
           Christof Hättig   Cauchy Moments of Ne, Ar, and Kr Atoms
                                  Calculated Using the Approximate Coupled
                                  Cluster Triples Model CC3  . . . . . . . 9--21
               Zsolt Bihary and   
                 Mark A. Ratner   Density of States and Transmission in
                                  Molecular Transport Junctions  . . . . . 23--34
           Hendrik J. Monkhorst   GW Method for Extended, Periodic Systems
                                  with a Mixed Slater-Orbital/Plane-Wave
                                  Basis and Fourier Transform Techniques   35--45
   Remigio Cabrera-Trujillo and   
              John R. Sabin and   
               Erik Deumens and   
                Yngve Öhrn   Orientational Effects in Energy
                                  Deposition by Protons in Water . . . . . 47--57
              John M. H. Lo and   
        Mariusz Klobukowski and   
          Geerd H. F. Diercksen   Low-Lying Excited States of the Hydrogen
                                  Molecule in Cylindrical Harmonic
                                  Confinement  . . . . . . . . . . . . . . 59--89
                  Peter Sigmund   Interplay of Classical and Quantum
                                  Mechanics in the Theory of
                                  Charged-Particle Stopping  . . . . . . . 91--110
             John W. Perram and   
                 Edgar R. Smith   Elliptic Functions of the Worst Kind:
                                  Non-linear Quantisation of the Classical
                                  Spherical Pendulum . . . . . . . . . . . 111--125
  Rubén H. Contreras and   
            Juan E. Peralta and   
     Verónica Barone and   
            Gustavo E. Scuseria   Theoretical NMR $^n$J($^{13}$C,
                                  $^{13}$C) Scalar Couplings as Probes to
                                  Study Diamagnetic Ring Currents in
                                  Fullerenes . . . . . . . . . . . . . . . 127--139
              Sylvio Canuto and   
            Kaline Coutinho and   
          Prasanta K. Mukherjee   The Dipole Polarizability of F$^-$ in
                                  Aqueous Solution. A Sequential Monte
                                  Carlo/Quantum Mechanics Study  . . . . . 141--150
                   Jacek Komasa   In Search for the Negative
                                  Polarizability States --- the E F $^1
                                  \Sigma_g^+$ State of Hydrogen Molecule   151--159
             Marina Sanchez and   
        Patricio F. Provasi and   
           Gustavo A. Aucar and   
            Stephan P. A. Sauer   On the Usage of Locally Dense Basis Sets
                                  in the Calculation of NMR Indirect
                                  Nuclear Spin-Spin Coupling Constants:
                                  Vicinal Fluorine-Fluorine Couplings  . . 161--183
     Ivana Paidarová and   
            Stephan P. A. Sauer   Calculations of Dipole and Quadrupole
                                  Polarizability Radial Functions for LiH
                                  and HF: a Comparison of Different Linear
                                  Response Methods . . . . . . . . . . . . 185--208
        Sergei N. Yurchenko and   
               Walter Thiel and   
            Miguel Carvajal and   
                    Hai Lin and   
                     Per Jensen   Rotation-Vibration Motion of Pyramidal
                                  XY$_3$ Molecules Described in the Eckart
                                  Frame: The Calculation of Intensities
                                  with Application to NH$_3$ . . . . . . . 209--238
             Monika Sobczyk and   
              Piotr Skurski and   
                    Jack Simons   Dissociative Low-Energy Electron
                                  Attachment to the C\bondS Bond of
                                  H$_3$CSCH$_3$ Influenced by Coulomb
                                  Stabilization  . . . . . . . . . . . . . 239--251
              J. F. Ogilvie and   
                  J. Oddershede   Dunham's Formalism Applied in Reduction
                                  of Spectral Data of Diatomic Molecules
                                  and the Development of Computational
                                  Spectrometry . . . . . . . . . . . . . . 253--317
        Stephan P. A. Sauer and   
Hans Jòrgen Aa. Jensen and   
                John F. Ogilvie   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$^+$  . . . . . . . . . . . . . . . . 319--334
        R. Cabrera-Trujillo and   
                 S. A. Cruz and   
                    J. Soullard   From the Orbital Implementation of the
                                  Kinetic Theory to the Polarization
                                  Propagator Method in the Study of Energy
                                  Deposition Problems  . . . . . . . . . . 335--367
                 Lucas Visscher   Magnetic Balance and Explicit
                                  Diamagnetic Expressions for Nuclear
                                  Magnetic Resonance Shielding Tensors . . 369--381
                     Trond Saue   Spin-Interactions and the
                                  Non-relativistic Limit of
                                  Electrodynamics  . . . . . . . . . . . . 383--405
            Frank E. Harris and   
           Vedene H. Smith, Jr.   Highly Compact Wavefunctions for
                                  Two-Electron Systems . . . . . . . . . . 407--419
                 Juraj Raab and   
             Björn O. Roos   Excitation Energies for Transition Metal
                                  Atoms --- a Comparison between Coupled
                                  Cluster Methods and Second-Order
                                  Perturbation Theory  . . . . . . . . . . 421--433
            S. Ajith Perera and   
             Rodney J. Bartlett   A Reinvestigation of Ramsey's Theory of
                                  NMR Coupling . . . . . . . . . . . . . . 434--467
            Stephan P. A. Sauer   The Rotational $g$ Tensor of HF, H$_2$O,
                                  NH$_3$, and CH$_4$: a Comparison of
                                  Correlated Ab Initio Methods . . . . . . 469--490
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--xi
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xv
         Lene B. Oddershede and   
                  John R. Sabin   Jens Oddershede --- Adventurer in
                                  Quantum Chemistry  . . . . . . . . . . . xvii--xix


Advances in Quantum Chemistry
Volume 49, 2005

          Mark Wladyslawski and   
                 Marcel Nooijen   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 . . . . . . . . 1--101
                James Avery and   
                     John Avery   Autoionizing States of Atoms Calculated
                                  Using Generalized Sturmians  . . . . . . 103--119
       Ramon Carbó-Dorca   Mathematical Elements of Quantum
                                  Electronic Density Functions . . . . . . 121--207
   Alán Aspuru-Guzik and   
         William A. Lester, Jr.   Quantum Monte Carlo: Theory and
                                  Application to Molecular Systems . . . . 209--226
      Salvatore Capozziello and   
            Alessandra Lattanzi   From Fischer Projections to Quantum
                                  Mechanics of Tetrahedral Molecules: New
                                  Perspectives in Chirality  . . . . . . . 227--247
             David Masiello and   
               Erik Deumens and   
                Yngve Öhrn   On the Canonical Formulation of
                                  Electrodynamics and Wave Mechanics . . . 249--297
              John R. Sabin and   
                Jens Oddershede   Stopping Power --- What Next?  . . . . . 299--319
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--vii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--ix
         Erkki Brändas and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 50, 2005

           Peter Cronstrand and   
                     Yi Luo and   
               Hans Ågren   Multi-Photon Absorption of Molecules . . 1--21
          Janet E. Del Bene and   
            José Elguero   Two-Bond Spin-Spin Coupling Constants
                                  ($^{2h}$J$_{X \bond {}Y}$) Across
                                  X\bondH\bondY Hydrogen Bonds: Some
                                  Fundamental Questions  . . . . . . . . . 23--35
           Christof Hättig   Structure Optimizations for Excited
                                  States with Correlated Second-Order
                                  Methods: CC2 and ADC(2)  . . . . . . . . 37--60
                Frank E. Harris   Angular Symmetry and Hylleraas
                                  Coordinates in Four-Body Problems  . . . 61--75
              Chris E. Mohn and   
         David J. D. Wilson and   
        Ola B. Lutnæs and   
            Trygve Helgaker and   
                   Kenneth Ruud   The Rotational $g$ Tensor as a Benchmark
                                  for \em Ab Initio Molecular Property
                                  Calculations . . . . . . . . . . . . . . 77--90
             K. J. Jalkanen and   
V. Würtz Jürgensen and   
              I. M. Degtyarenko   Linear Response Properties Required to
                                  Simulate Vibrational Spectra of
                                  Biomolecules in Various Media:
                                  (R)-Phenyloxirane (a Comparative
                                  Theoretical and Spectroscopic
                                  Vibrational Study) . . . . . . . . . . . 91--124
                Allan Gross and   
              Kurt V. Mikkelsen   A Theoretical Model to Calculate
                                  Fundamental Physical Parameters for
                                  Molecule-Particle Interactions . . . . . 125--142
              Antonio Rizzo and   
                  Sonia Coriani   Birefringences: a Challenge for Both
                                  Theory and Experiment  . . . . . . . . . 143--184
            Magdalena Pecul and   
                   Kenneth Ruud   The Ab Initio Calculation of Optical
                                  Rotation and Electronic Circular
                                  Dichroism  . . . . . . . . . . . . . . . 185--212
                    Jack Simons   Response of a Molecule to Adding or
                                  Removing an Electron . . . . . . . . . . 213--233
       Raphael J. F. Berger and   
                  Dage Sundholm   A Non-Iterative Numerical Solver of
                                  Poisson and Helmholtz Equations Using
                                  High-Order Finite-Element Functions  . . 235--247
                   M. Urban and   
                  V. Kellö   Some Trends in Relativistic and Electron
                                  Correlation Effects in Electric
                                  Properties of Small Molecules  . . . . . 249--269
       Zilvinas Rinkevicius and   
         Lyudmyla Telyatnyk and   
                   Olav Vahtras   Restricted Density Functional Response
                                  Theory for Open-Shell Systems  . . . . . 271--288
                Danny L. Yeager   The Multiconfigurational Spin-Tensor
                                  Electron Propagator Method (MCSTEP)  . . 289--313
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--viii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                Jens Oddershede   Poul Jòrgensen and His Science  . . . . . xxi--xxix
                Yngve Öhrn   Jan Linderberg, Scientist, Teacher,
                                  Friend . . . . . . . . . . . . . . . . . xiii--xix
                Jeppe Olsen and   
Hans Jòrgen Aagaard Jensen   Preface  . . . . . . . . . . . . . . . . xi--xi


Advances in Quantum Chemistry
Volume 51, 2006

              Peng-Dong Fan and   
                  Piotr Piecuch   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  . . 1--57
          Paul E. S. Wormer and   
                   Josef Paldus   Angular Momentum Diagrams  . . . . . . . 59--123
                    Ivan Gutman   Chemical Graph Theory-The Mathematical
                                  Connection . . . . . . . . . . . . . . . 125--138
    Alexander A. Oliferenko and   
          Sergei A. Pisarev and   
       Vladimir A. Palyulin and   
             Nikolai S. Zefirov   Atomic Charges via Electronegativity
                                  Equalization: Generalizations and
                                  Perspectives . . . . . . . . . . . . . . 139--156
              D\vzevad Belki\'c   Fast Padé Transform for Exact
                                  Quantification of Time Signals in
                                  Magnetic Resonance Spectroscopy  . . . . 157--233
            Roman F. Nalewajski   Probing the Interplay between Electronic
                                  and Geometric Degrees-of-Freedom in
                                  Molecules and Reactive Systems . . . . . 235--305
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--vi
                      Anonymous   Contributors . . . . . . . . . . . . . . vii--vii
      Erkki J. Brändas and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 52, 2007

                  John R. Sabin   Theoretical Studies of the Interaction
                                  of Radiation with Biomolecules . . . . . 1--3
            Clemens von Sonntag   Free-Radical-Induced DNA Damage as
                                  Approached by Quantum-Mechanical and
                                  Monte Carlo Calculations: An Overview
                                  from the Standpoint of an
                                  Experimentalist  . . . . . . . . . . . . 5--20
            A. Muñoz and   
                  F. Blanco and   
                J. C. Oller and   
         J. M. Pérez and   
               G. García   Energy Deposition Models at the
                                  Molecular Level in Biological Systems    21--57
                  Xifeng Li and   
             Michael D. Sevilla   DFT Treatment of Radiation Produced
                                  Radicals in DNA Model Systems  . . . . . 59--87
          Franti\vsek Ture\vcek   Computational Studies of Radicals
                                  Relevant to Nucleic Acid Damage  . . . . 89--120
          Emilie Cauët and   
          Jacques Liévin   Radical Cations of the Nucleic Bases and
                                  Radiation Damage to DNA: Ab Initio Study 121--147
             N. Stolterfoht and   
        R. Cabrera-Trujillo and   
              R. Hellhammer and   
                 Z. Pesi\'c and   
                 E. Deumens and   
               Y. Öhrn and   
                    J. R. Sabin   Charge Exchange and Fragmentation in
                                  Slow Collisions of He$^{2+}$ with Water
                                  Molecules  . . . . . . . . . . . . . . . 149--170
                    Jack Simons   How Very Low-Energy (0.1-2 eV) Electrons
                                  Cause DNA Strand Breaks  . . . . . . . . 171--188
              I. Baccarelli and   
            F. A. Gianturco and   
                  A. Grandi and   
             R. R. Lucchese and   
                       N. Sanna   Electron-Driven Molecular Processes
                                  Induced in Biological Systems by
                                  Electromagnetic and Other Ionizing
                                  Sources  . . . . . . . . . . . . . . . . 189--230
         Abraham F. Jalbout and   
               Ludwik Adamowicz   Electron Attachment to DNA Base
                                  Complexes  . . . . . . . . . . . . . . . 231--251
          Béla Sulik and   
  Károly T\Hokési   Accelerating Multiple Scattering of
                                  Electrons by Ion Impact: Contribution to
                                  Molecular Fragmentation and Radiation
                                  Damages  . . . . . . . . . . . . . . . . 253--276
                    A. Akar and   
         H. Gümüs and   
           N. T. Okumu\cso\uglu   Total Electron Stopping Powers and
                                  CSDA-Ranges from $ 20 $ eV to $ 10 $ MeV
                                  Electron Energies for Components of DNA
                                  and RNA  . . . . . . . . . . . . . . . . 277--288
                Helmut Paul and   
            Oksana Geithner and   
              Oliver Jäkel   The Influence of Stopping Powers upon
                                  Dosimetry for Radiation Therapy with
                                  Energetic Ions . . . . . . . . . . . . . 289--306
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--viii
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
         Erkki Brändas and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . xi--xii


Advances in Quantum Chemistry
Volume 53, 2008

               Norman F. Ramsey   Magnetic Resonance Contributions to
                                  Other Sciences . . . . . . . . . . . . . 1--6
               Peter E. Toschek   A Single Quantum System: Evolution,
                                  Prediction, Observation  . . . . . . . . 7--26
                  Peter J. Mohr   The Quantum SI: a Possible New
                                  International System of Units  . . . . . 27--36
             G. W. F. Drake and   
                      Z.-C. Yan   Studies of Light Halo Nuclei from Atomic
                                  Isotope Shifts . . . . . . . . . . . . . 37--56
          Th. Stöhlker and   
              A. Gumberidze and   
                   A. Kumar and   
                 R. Reuschl and   
                 M. Trassinelli   Quantum Electrodynamics in One- and
                                  Two-Electron High- $ {Z} $ Ions  . . . . 57--65
                  R. Schuch and   
          I. Bergström and   
                T. Fritioff and   
                   Sz. Nagy and   
                 A. Solders and   
                     M. Suhonen   Precise Atomic Masses for Fundamental
                                  Physics Determined at SMILETRAP  . . . . 67--81
                      Anonymous   HITRAP: a Facility at GSI for Highly
                                  Charged Ions . . . . . . . . . . . . . . 83--98
                 Walter Greiner   Structure of Vacuum and Elementary
                                  Matter: From Superheavies via
                                  Hypermatter to Antimatter-The Vacuum
                                  Decay in Supercritical Fields  . . . . . 99--150
            Karol Jankowski and   
            Romuald Slupski and   
                Jesus R. Flores   Asymptotic Behavior of MP2 Correlation
                                  Energies for Closed-Shell Atoms  . . . . 151--175
          Stephan Fritzsche and   
            Brajesh K. Mani and   
                    Dilip Angom   A Computer-Algebraic Approach to the
                                  Derivation of Feynman--Goldstone
                                  Perturbation Expansions for Open-Shell
                                  Atoms and Molecules  . . . . . . . . . . 177--215
                      Anonymous   Experiments on Highly Charged Heavy Ions
                                  in Conjunction with Exotic Atoms . . . . 217--235
          Savely G. Karshenboim   Conceptual Problems in Phenomenological
                                  Interpretation in Searches for Variation
                                  of Constants and Violation of Various
                                  Invariances  . . . . . . . . . . . . . . 237--252
      Eric-Olivier Le Bigot and   
       Ulrich D. Jentschura and   
       Svetlana Kotochigova and   
              Peter J. Mohr and   
                Barry N. Taylor   Extensive Calculations of High-Precision
                                  Energy Levels in Hydrogen and Deuterium
                                  Through a Least-Squares Adjustment . . . 253--271
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--xiv
                Daniel Kleppner   Preface  . . . . . . . . . . . . . . . . xvi--xix


Advances in Quantum Chemistry
Volume 54, 2008

            Masao Morishita and   
           Hiroaki Yamamoto and   
             Yasutomo Matsumoto   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  . . . . . . . . . . . . . . 1--12
                 S. Kishino and   
                  K. Sueoka and   
                     H. Yoshida   First-Principles Calculation of Energy
                                  Band Structure of Gallium Arsenide
                                  Crystals Using Madelung Potential  . . . 13--21
                 Ri-Zhu Yin and   
               Yang-Soo Kim and   
                 Wanuk Choi and   
               Sung-Soo Kim and   
                     Heejin Kim   Structural Analysis and First-Principles
                                  Calculation of Lithium Vanadium Oxide
                                  for Advanced Li-Ion Batteries  . . . . . 23--33
             Tomohiko Ishii and   
              Yukikazu Fuke and   
               Naoko Aizawa and   
             Masahiro Yamashita   Novel Theoretical Prediction Method of
                                  the Haldane Gap among the Azido-Bridged
                                  Compounds by DV--X$ \alpha $ Molecular
                                  Orbital Calculation  . . . . . . . . . . 35--46
            Kimichika Fukushima   First-Principles Analysis of the
                                  Antiferromagnetic State  . . . . . . . . 47--60
            Chikashi Suzuki and   
                Toshio Nakagiri   Sulfur Trioxide Adsorption on Pt Surface 61--79
              Sung Kwan Kim and   
               Yang-soo Kim and   
                   Kwang-soo No   X-Ray Absorption Near-Edge Structure and
                                  Optical Properties of Hafnium Oxynitride
                                  Thin Films . . . . . . . . . . . . . . . 81--88
    Yoshitsune Higashiguchi and   
             Hiroaki Ochiai and   
              Kazuyuki Igei and   
               Kengo Ohmori and   
             Yoshinori Hayafuji   Atomic and Electronic Structures of
                                  Boron Clusters in Crystalline Silicon:
                                  The Case of X@B$_6$ and X@B$_{12}$, X
                                  $=$ H--Br  . . . . . . . . . . . . . . . 89--102
           Keisuke Ishizumi and   
         Hironori Kawanishi and   
                  Ryo Nakao and   
             Isao Takahashi and   
            Hikaru Terauchi and   
             Yoshinori Hayafuji   Particle Size and Surface Effects on
                                  Critical Thickness for Ferroelectricity
                                  of BaTiO$_3$ by ab initio Calculations   103--113
          Erkki J. Brändas   Quantum Mechanics and the Special and
                                  General Theory of Relativity . . . . . . 115--132
         Hironori Kawanishi and   
           Keisuke Ishizumi and   
             Isao Takahashi and   
            Hikaru Terauchi and   
             Yoshinori Hayafuji   Electronic Structures of ATiO$_3$
                                  Perovskite Oxides (A $=$ Ba, Sr, and
                                  Pb): Comparative First-Principles Study  133--143
         Yoshifumi Shinzato and   
             Hiroshi Yukawa and   
          Masahiko Morinaga and   
               Takeshi Baba and   
                   Hiromi Nakai   New Expression of the Chemical Bond in
                                  Hydrides Using Atomization Energies  . . 145--160
              Kazuki Sugita and   
            Masataka Mizuno and   
               Hideki Araki and   
                Yasuharu Shirai   Electronic Structure and Bonding in
                                  Amorphous Zr$_{67}$Ni$_{33}$ and
                                  Zr$_{67}$Cu$_{33}$ . . . . . . . . . . . 161--174
           L. Kövér   Local Electronic Structures from
                                  Analyzing and Modeling High-Energy Auger
                                  and Photoelectron Spectra of Solids  . . 175--191
               Shuji Matsuo and   
                Hisanobu Wakita   X-Ray Absorption Spectroscopic Study on
                                  Polymerization of Aqueous Aluminate by
                                  DV--X$ \alpha $ Molecular-Orbital Method 193--207
               Yasuji Muramatsu   Soft X-Ray Absorption Spectral Analysis
                                  of Amorphous Carbon and Carbon Black
                                  Using the DV--X$ \alpha $ Method . . . . 209--218
               Satoshi Ueda and   
           Yasuji Muramatsu and   
          Jonathan D. Denlinger   Soft X-Ray Emission Spectral Analysis of
                                  Graphite Fluoride (CF)$_n$ Using the
                                  DV--X$ \alpha $ Calculations . . . . . . 219--226
             Sunao Sugihara and   
         Koujiroh Nishiyama and   
              Yuka Igarashi and   
              Kentaroh Morikawa   Functions of Metal Oxide for
                                  Thermoelectric Materials and Electronic
                                  Structures . . . . . . . . . . . . . . . 227--243
         Yoshifumi Shinzato and   
               Kenji Komiya and   
        Yoshitaka Takahashi and   
             Hiroshi Yukawa and   
          Masahiko Morinaga and   
                 Shinichi Orimo   Characteristics of Chemical Bond in
                                  Perovskite-Type Hydrides . . . . . . . . 245--253
                  Y. Kowada and   
             M. Tatsumisago and   
                  T. Minami and   
                      H. Adachi   Chemical Bonding of Mobile Cations in
                                  Superionic Conductors  . . . . . . . . . 255--270
                   Liang Pu and   
                  Qing Wang and   
                 Yong Zhang and   
                 Qiang Miao and   
               Yang-soo Kim and   
                  Zhibing Zhang   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 . . . . . . . . . . . . . . 271--295
        Kazuyoshi Ogasawara and   
                Shinta Watanabe   Current Situation and Future Development
                                  of Discrete Variational Multielectron
                                  Method . . . . . . . . . . . . . . . . . 297--314
           Tsutomu Kurisaki and   
            Yuichi Nakazono and   
               Shuji Matsuo and   
        Rupert C. C. Perera and   
         James H. Underwood and   
                Hisanobu Wakita   Evaluation of Laboratory Ultra-Soft
                                  X-Ray Absorption Spectrometer by Li-K
                                  XANES Measurements and Their DV--X$
                                  \alpha $ Calculations  . . . . . . . . . 315--323
           Yusuke Kinoshita and   
           Takayuki Noguchi and   
              Takeshi Inoue and   
              Takumi Tomita and   
             Yoshinori Hayafuji   Ab Initio Calculation of the Electronic
                                  Structure of ZnO with an Impurity from
                                  Li to Bi . . . . . . . . . . . . . . . . 325--339
            Kimichika Fukushima   First-Principles Investigation of
                                  Dimethyl Ether Steam Reforming . . . . . 341--359
                      Anonymous   Subject Index  . . . . . . . . . . . . . 361--363
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xvii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Foreword . . . . . . . . . . . . . . . . xix--xx
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xxi--xxviii


Advances in Quantum Chemistry
Volume 55, 2008

         Matthew S. Johnson and   
            Michael E. Goodsite   Applications of Theoretical Methods to
                                  Atmospheric Science  . . . . . . . . . . 1--4
                   R. A. Marcus   Mass-Independent Oxygen Isotope
                                  Fractionation in Selected Systems.
                                  Mechanistic Considerations . . . . . . . 5--19
 João Brandão and   
         Carolina M. A. Rio and   
                     Wenli Wang   An Important Well Studied Atmospheric
                                  Reaction, O($^1$D) $+$ H$_2$ . . . . . . 21--41
            Parisa A. Ariya and   
                Henrik Skov and   
          Mette M.-L. Grage and   
          Michael Evan Goodsite   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  . . . 43--55
                 James R. Lyons   Photolysis of Long-Lived Predissociative
                                  Molecules as a Source of
                                  Mass-Independent Isotope Fractionation:
                                  The Example of SO$_2$  . . . . . . . . . 57--74
                        R. Jost   A New Model of Low Resolution Absorption
                                  Cross Section  . . . . . . . . . . . . . 75--100
   Solvejg Jòrgensen and   
          Mette M.-L. Grage and   
               Gunnar Nyman and   
             Matthew S. Johnson   Isotope Effects in Photodissociation:
                                  Chemical Reaction Dynamics and
                                  Implications for Atmospheres . . . . . . 101--135
       Henrik G. Kjaergaard and   
             Joseph R. Lane and   
             Anna L. Garden and   
        Daniel P. Schofield and   
        Timothy W. Robinson and   
               Michael J. Mills   Atmospheric Photolysis of Sulfuric Acid  137--158
                  Paul Marshall   Computational Studies of the
                                  Thermochemistry of the Atmospheric
                                  Iodine Reservoirs HOI and IONO$_2$ . . . 159--175
                   Jun Zhao and   
                    Renyi Zhang   Theoretical Investigation of Atmospheric
                                  Oxidation of Biogenic Hydrocarbons: a
                                  Critical Review  . . . . . . . . . . . . 177--213
  Claudette M. Rosado-Reyes and   
Mónica Martínez-Avilés and   
            Joseph S. Francisco   Computational Study of the Reaction of
                                  $n$-Bromopropane with OH Radicals and Cl
                                  Atoms  . . . . . . . . . . . . . . . . . 215--244
               Annia Galano and   
  J. Raúl Alvarez-Idaboy   Atmospheric Reactions of Oxygenated
                                  Volatile Organic Compounds $+$ OH
                                  Radicals: Role of Hydrogen-Bonded
                                  Intermediates and Transition States  . . 245--274
                 A. Ryzhkov and   
                P. A. Ariya and   
                  F. Raofie and   
                    H. Niki and   
                   G. W. Harris   Theoretical and Experimental Studies of
                                  the Gas-Phase Cl-Atom Initiated
                                  Reactions of Benzene and Toluene . . . . 275--295
             Jean M. Andino and   
             Annik Vivier-Bunge   Tropospheric Chemistry of Aromatic
                                  Compounds Emitted from Anthropogenic
                                  Sources  . . . . . . . . . . . . . . . . 297--310
        Glauciete S. Maciel and   
          David Cappelletti and   
                Gaia Grossi and   
            Fernando Pirani and   
             Vincenzo Aquilanti   Elementary Processes in Atmospheric
                                  Chemistry: Quantum Studies of
                                  Intermolecular Dimer Formation and
                                  Intramolecular Dynamics  . . . . . . . . 311--332
      Srinivasan S. Iyengar and   
                  Xiaohu Li and   
                  Isaiah Sumner   The Study of Dynamically Averaged
                                  Vibrational Spectroscopy of
                                  Atmospherically Relevant Clusters Using
                                  Ab Initio Molecular Dynamics in
                                  Conjunction with Quantum Wavepackets . . 333--353
                Allan Gross and   
           Ole John Nielsen and   
              Kurt V. Mikkelsen   From Molecules to Droplets . . . . . . . 355--385
             Roberto Bianco and   
                Shuzhi Wang and   
                 James T. Hynes   Theoretical Studies of the Dissociation
                                  of Sulfuric Acid and Nitric Acid at
                                  Model Aqueous Surfaces . . . . . . . . . 387--405
         Theo Kurtén and   
           Hanna Vehkamäki   Investigating Atmospheric Sulfuric
                                  Acid-Water-Ammonia Particle Formation
                                  Using Quantum Chemistry  . . . . . . . . 407--427
          Shawn M. Kathmann and   
        Gregory K. Schenter and   
               Bruce C. Garrett   The Impact of Molecular Interactions on
                                  Atmospheric Aerosol Radiative Forcing    429--447
          Alexey B. Nadykto and   
            Anas Al Natsheh and   
                 Fangqun Yu and   
          Kurt V. Mikkelsen and   
                     Jason Herb   Computational Quantum Chemistry: a New
                                  Approach to Atmospheric Nucleation . . . 449--478
                      Anonymous   Contents . . . . . . . . . . . . . . . . v--x
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xvi
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Series Editors . . . . . . . . . . . . . ??
                      Anonymous   Volume Editors . . . . . . . . . . . . . ??


Advances in Quantum Chemistry
Volume 56, 2009

                 Ya-Jun Liu and   
                   Wei-Hai Fang   Multireference and Spin-Orbit
                                  Calculations on Photodissociations of
                                  Hydrocarbon Halides  . . . . . . . . . . 1--29
                       O. Tapia   Quantum Linear Superposition Theory for
                                  Chemical Processes: a Generalized
                                  Electronic Diabatic Approach . . . . . . 31--93
                         Dz and   
                  evad Belki\'c   Exact Signal-Noise Separation by
                                  Froissart Doublets in Fast Padé Transform
                                  for Magnetic Resonance Spectroscopy  . . 95--179
                 Marcel Nooijen   Reflections on Formal Density Functional
                                  Theory . . . . . . . . . . . . . . . . . 181--216
            Roman F. Nalewajski   Multiple, Localized, and
                                  Delocalized/Conjugated Bonds in the
                                  Orbital Communication Theory of
                                  Molecular Systems  . . . . . . . . . . . 217--250
              D\vzevad Belki\'c   Quantum Mechanical Methods for
                                  Loss-Excitation and Loss-Ionization in
                                  Fast Ion-Atom Collisions . . . . . . . . 251--321
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xi
                      Anonymous   Copyright Page . . . . . . . . . . . . . iv--iv
                      Anonymous   Series Editors . . . . . . . . . . . . . ??
                      Anonymous   Volume Editors . . . . . . . . . . . . . ??
              John R. Sabin and   
             Erkki Brändas   Preface  . . . . . . . . . . . . . . . . ix--ix


Advances in Quantum Chemistry
Volume 57, 2009

                S. H. Patil and   
                  Y. P. Varshni   Properties of Confined Hydrogen and
                                  Helium Atoms . . . . . . . . . . . . . . 1--24
                  K. D. Sen and   
             V. I. Pupyshev and   
          H. E. Montgomery, Jr.   Exact Relations for Confined
                                  One-Electron Systems . . . . . . . . . . 25--77
                Eugenio Ley-Koo   The Hydrogen Atom Confined in
                                  Semi-infinite Spaces Limited by Conoidal
                                  Boundaries . . . . . . . . . . . . . . . 79--122
                      N. Aquino   The Hydrogen and Helium Atoms Confined
                                  in Spherical Boxes . . . . . . . . . . . 123--171
              B. L. Burrows and   
                       M. Cohen   Exact Solutions for Confined Model
                                  Systems Using Kummer Functions . . . . . 173--201
                 Cecil Laughlin   Perturbation Theory for a Hydrogen-like
                                  Atom Confined Within an Impenetrable
                                  Spherical Cavity . . . . . . . . . . . . 203--239
                Jorge Garza and   
               Rubicelia Vargas   Comparative Study Between the
                                  Hartree--Fock and Kohn--Sham Models for
                                  the Lowest Singlet and Triplet States of
                                  the Confined Helium Atom . . . . . . . . 241--254
               Salvador A. Cruz   Thomas--Fermi--Dirac-Weizsäcker Density
                                  Functional Formalism Applied to the
                                  Study of Many-electron Atom Confinement
                                  by Open and Closed Boundaries  . . . . . 255--283
            Richard F. W. Bader   Confined Atoms Treated as Open Quantum
                                  Systems  . . . . . . . . . . . . . . . . 285--318
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
               Salvador A. Cruz   Preface  . . . . . . . . . . . . . . . . ix--ix


Advances in Quantum Chemistry
Volume 58, 2009

               Doris Guerra and   
           Rubicelia Vargas and   
        Patricio Fuentealba and   
                    Jorge Garza   Modeling Pressure Effects on the
                                  Electronic Properties of Ca, Sr, and Ba
                                  by the Confined Atoms Model  . . . . . . 1--12
                 V. K. Dolmatov   Photoionization of Atoms Encaged in
                                  Spherical Fullerenes . . . . . . . . . . 13--68
              O. P. Charkin and   
             N. M. Klimenko and   
                  D. O. Charkin   DFT Study of Molecules Confined Inside
                                  Fullerene and Fullerene-like Cages . . . 69--114
                  A. N. Sil and   
                  S. Canuto and   
                P. K. Mukherjee   Spectroscopy of Confined Atomic Systems:
                                  Effect of Plasma . . . . . . . . . . . . 115--175
                Tokuei Sako and   
               Josef Paldus and   
          Geerd H. F. Diercksen   The Energy Level Structure of
                                  Low-dimensional Multi-electron Quantum
                                  Dots . . . . . . . . . . . . . . . . . . 177--201
               Elena Degoli and   
               Stefano Ossicini   Engineering Quantum Confined Silicon
                                  Nanostructures: Ab-Initio Study of the
                                  Structural, Electronic and Optical
                                  Properties . . . . . . . . . . . . . . . 203--279
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
               Salvador A. Cruz   Preface  . . . . . . . . . . . . . . . . vii--vii


Advances in Quantum Chemistry
Volume 59, 2010

                 Yaoquan Tu and   
                Aatto Laaksonen   Implementing Quantum Mechanics into
                                  Molecular Mechanics: Combined QM/MM
                                  Modeling Methods . . . . . . . . . . . . 1--15
            Vincenzo Barone and   
       Ma\lgorzata Biczysko and   
              Giuseppe Brancato   Extending the Range of Computational
                                  Spectroscopy by QM/MM Approaches:
                                  Time-Dependent and Time-Independent
                                  Routes . . . . . . . . . . . . . . . . . 17--57
Ignacio Fdez. Galván and   
   Aurora Muñoz-Losa and   
    Catalina Soriano-Correa and   
      M. Luz Sánchez and   
     M. Elena Martín and   
              Manuel A. Aguilar   Use of the Average Solvent Potential
                                  Approach in the Study of Solvent Effects 59--97
            Ricardo A. Mata and   
             B. J. Costa Cabral   QM/MM Approaches to the Electronic
                                  Spectra of Hydrogen-Bonding Systems with
                                  Connection to Many-Body Decomposition
                                  Schemes  . . . . . . . . . . . . . . . . 99--144
 Guilherme Ferreira de Lima and   
               Thomas Heine and   
   Hélio Anderson Duarte   Molecular Dynamics of Polypeptides and
                                  Their Inclusion Compounds with $ \beta
                                  $-Cyclodextrin in Aqueous Solution Using
                                  DC--SCC--DFTB/UFF Approach . . . . . . . 145--180
            Gerrit Groenhof and   
      Martial Boggio-Pasqua and   
       Lars V. Schäfer and   
                Michael A. Robb   Computer Simulations of Photobiological
                                  Processes: The Effect of the Protein
                                  Environment  . . . . . . . . . . . . . . 181--212
            Thomas S. Hofer and   
          Andreas B. Pribil and   
        Bernhard R. Randolf and   
                  Bernd M. Rode   Ab Initio Quantum Mechanical Charge
                                  Field Molecular Dynamics: a
                                  Nonparametrized First-Principle Approach
                                  to Liquids and Solutions . . . . . . . . 213--246
Gustavo Pierdominici-Sottile and   
Sebastián Fernández Alberti and   
                  Juliana Palma   Applications of Mixed-Quantum/Classical
                                  Trajectories to the Study of Nuclear
                                  Quantum Effects in Chemical Reactions
                                  and Vibrational Relaxation Processes . . 247--282
          Hideaki Takahashi and   
        Nobuyuki Matubayasi and   
               Masayoshi Nakano   Development of a Quantum Chemical Method
                                  Combined with a Theory of Solutions:
                                  Free-Energy Calculation for Chemical
                                  Reactions by Condensed Phase Simulations 283--351
                  Rui Zhang and   
                 Bogdan Lev and   
      Javier Eduardo Cuervo and   
           Sergei Yu Noskov and   
              Dennis R. Salahub   A Guide to QM/MM Methodology and
                                  Applications . . . . . . . . . . . . . . 353--400
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xvi
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Volume Editors . . . . . . . . . . . . . ??
                  Sylvio Canuto   Preface  . . . . . . . . . . . . . . . . ix--xi


Advances in Quantum Chemistry
Volume 60, 2010

     Ivana Paidarová and   
                Philippe Durand   Unstable States: From Quantum Mechanics
                                  to Statistical Physics . . . . . . . . . 1--49
                  O. Atabek and   
                R. Lefebvre and   
              T. T. Nguyen-Dang   Unstable States in Laser Assisted and
                                  Controlled Molecular Processes . . . . . 51--104
         Ioannis Thanopulos and   
                  Moshe Shapiro   Coherence Effects in Laser-Induced
                                  Continuum Structure  . . . . . . . . . . 105--161
        Cleanthes A. Nicolaides   Theory and State-Specific Methods for
                                  the Analysis and Computation of
                                  Field-Free and Field-Induced Unstable
                                  States in Atoms and Molecules  . . . . . 163--267
             Arseni Goussev and   
             Roman Schubert and   
            Holger Waalkens and   
                Stephen Wiggins   Quantum Theory of Reactive Scattering in
                                  Phase Space  . . . . . . . . . . . . . . 269--332
        Theodoros Mercouris and   
            Yannis Komninos and   
        Cleanthes A. Nicolaides   The State-Specific Expansion Approach to
                                  the Solution of the Polyelectronic
                                  Time-Dependent Schrödinger Equation for
                                  Atoms and Molecules in Unstable States   333--405
Gastón García-Calderón   Theory of Resonant States: An Exact
                                  Analytical Approach for Open Quantum
                                  Systems  . . . . . . . . . . . . . . . . 407--455
             M. Stobi\'nska and   
                   G. Alber and   
                      G. Leuchs   Quantum Electrodynamics of One-Photon
                                  Wave Packets . . . . . . . . . . . . . . 457--483
             E. Torrontegui and   
                 J. G. Muga and   
               J. Martorell and   
                D. W. L. Sprung   Quantum Decay at Long Times  . . . . . . 485--535
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xiii
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Volume Editors . . . . . . . . . . . . . ??
    Cleanthes A. Nicolaides and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . ix--x


Advances in Quantum Chemistry
Volume 61, 2011

        Roman F. Nalewajski and   
         Dariusz Szczepanik and   
                  Janusz Mrozek   Bond Differentiation and Orbital
                                  Decoupling in the Orbital-Communication
                                  Theory of the Chemical Bond  . . . . . . 1--48
                       O. Tapia   Quantum States for Quantum Measurements  49--106
Jógvan Magnus Haugaard Olsen and   
                 Jacob Kongsted   Molecular Properties through Polarizable
                                  Embedding  . . . . . . . . . . . . . . . 107--143
              D\vzevad Belki\'c   Parametric Analysis of Time Signals and
                                  Spectra from Perspectives of Quantum
                                  Physics and Chemistry  . . . . . . . . . 145--260
            Grigory Kolesov and   
                 Yuri Dahnovsky   Quantum Correlation Effects in Electron
                                  Dynamics in Molecular Wires and Solar
                                  Cells: The Nonequilibrium Green's
                                  Function Approach  . . . . . . . . . . . 261--315
         A. K. Fazlul Haque and   
             M. Alfaz Uddin and   
               M. Shahjahan and   
         M. Rashid Talukder and   
              Arun K. Basak and   
                 Bidhan C. Saha   Electron Impact Inner-Shell Ionization
                                  of Atoms . . . . . . . . . . . . . . . . 317--380
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xiv
                      Anonymous   Editors  . . . . . . . . . . . . . . . . ??
                      Anonymous   Preface  . . . . . . . . . . . . . . . . ix--xi


Advances in Quantum Chemistry
Volume 62, 2011

                       A. Salam   Molecular Quantum Electrodynamics of
                                  Radiation-Induced Intermolecular Forces  1--34
        Cleanthes A. Nicolaides   State- and Property-Specific Quantum
                                  Chemistry  . . . . . . . . . . . . . . . 35--103
  Viatcheslav G. Zakrzewski and   
        Olga Dolgounitcheva and   
    Alexander V. Zakjevskii and   
                    J. V. Ortiz   Ab initio Electron Propagator
                                  Calculations on Electron Detachment
                                  Energies of Fullerenes, Macrocyclic
                                  Molecules, and Nucleotide Fragments  . . 105--136
Ricardo Méndez-Fragoso and   
                Eugenio Ley-Koo   Rotations of Asymmetric Molecules and
                                  the Hydrogen Atom in Free and Confined
                                  Configurations . . . . . . . . . . . . . 137--213
        Stephan P. A. Sauer and   
            Jens Oddershede and   
                  John R. Sabin   Mean Excitation Energies for
                                  Biomolecules: Glycine to DNA . . . . . . 215--242
          D\vzevad Belki\'c and   
                 Karen Belki\'c   High-Resolution Signal Processing in
                                  Magnetic Resonance Spectroscopy for
                                  Early Cancer Diagnostics . . . . . . . . 243--347
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xiv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Editors  . . . . . . . . . . . . . . . . ??
                      Anonymous   Preface  . . . . . . . . . . . . . . . . ix--xi


Advances in Quantum Chemistry
Volume 63, 2012

            Shachar Klaiman and   
                     Ido Gilary   On Resonance: a First Glance into the
                                  Behavior of Unstable States  . . . . . . 1--31
          Erkki J. Brändas   Examining the Limits of Physical Theory:
                                  Analytical Principles and Logical
                                  Implications . . . . . . . . . . . . . . 33--117
                  Rex T. Skodje   Resonances in Bimolecular Chemical
                                  Reactions  . . . . . . . . . . . . . . . 119--163
                 Isao Shimamura   Quasi-Bound States of Electronic and
                                  Positronic Few-Body Systems: Analysis of
                                  Multichannel Scattering Information  . . 165--245
               Eva Lindroth and   
                   Luca Argenti   Atomic Resonance States and Their Role
                                  in Charge-Changing Processes . . . . . . 247--308
            Vitali Averbukh and   
               Premysl Kolorenc   Electronic Decay in Multiply Charged
                                  Polyatomic Systems . . . . . . . . . . . 309--342
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 343--348
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--ix
                      Anonymous   Copyright page . . . . . . . . . . . . . iv--iv
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Preface  . . . . . . . . . . . . . . . . vii--viii
                      Anonymous   Special Editors  . . . . . . . . . . . . ??


Advances in Quantum Chemistry
Volume 64, 2012

                  Roberto Cammi   Recent Advances in the Coupled-Cluster
                                  Analytical Derivatives Theory for
                                  Molecules in Solution Described With the
                                  Polarizable Continuum Model (PCM)  . . . 1--29
                    Taku Onishi   Quantum Chemistry in Functional
                                  Inorganic Materials  . . . . . . . . . . 31--81
                Paul G. Seybold   Quantum Chemical-QSPR Estimation of the
                                  Acidities and Basicities of Organic
                                  Compounds  . . . . . . . . . . . . . . . 83--104
                 Josep M. Oliva   Energy Landscapes in Boron Chemistry:
                                  Bottom-Top Approach Toward Design of
                                  Novel Molecular Architectures  . . . . . 105--119
                S. Yamanaka and   
                   K. Kanda and   
                   T. Saito and   
                   Y. Umena and   
                K. Kawakami and   
                 J.-R. Shen and   
                  N. Kamiya and   
                 M. Okumura and   
                H. Nakamura and   
                   K. Yamaguchi   Electronic and Spin Structures of the
                                  CaMn$_4$O$_5$ (H$_2$O)$_4$ Cluster in
                                  OEC of PSII Refined to $ 1.9 ~{\AA }$
                                  X-ray Resolution . . . . . . . . . . . . 121--187
             Peter Politzer and   
Alejandro Toro-Labbé and   
Soledad Gutiérrez-Oliva and   
                 Jane S. Murray   Perspectives on the Reaction Force . . . 189--209
   Svetlana A. Malinovskaya and   
                Tom Collins and   
                 Vishesha Patel   Ultrafast Manipulation of Raman
                                  Transitions and Prevention of
                                  Decoherence Using Chirped Pulses and
                                  Optical Frequency Combs  . . . . . . . . 211--258
                      Anonymous   Subject Index  . . . . . . . . . . . . . 259--266
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
                      Anonymous   Series Page  . . . . . . . . . . . . . . ??
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . ix--ix


Advances in Quantum Chemistry
Volume 65, 2013

                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Preface  . . . . . . . . . . . . . . . . xiii--xv
                      Anonymous   Contributors . . . . . . . . . . . . . . xvii--xix
                   Hans Bichsel   Stochastics of Energy Loss and
                                  Biological Effects of Heavy Ions in
                                  Radiation Therapy  . . . . . . . . . . . 1--38
                    Helmut Paul   On the Accuracy of Stopping Power Codes
                                  and Ion Ranges Used for Hadron Therapy   39--61
              John R. Sabin and   
            Jens Oddershede and   
            Stephan P. A. Sauer   On the Determination of the Mean
                                  Excitation Energy of Water . . . . . . . 63--77
                   Ziad Francis   Molecular Scale Simulation of Ionizing
                                  Particles Tracks for Radiobiology and
                                  Hadrontherapy Studies  . . . . . . . . . 79--110
          Joanne Beebe-Wang and   
                 Paul Vaska and   
       F. Avraham Dilmanian and   
           Stephen G. Peggs and   
               David J. Schlyer   Verifying Radiation Treatment in Proton
                                  Therapy via PET Imaging of the Induced
                                  Positron-Emitters  . . . . . . . . . . . 111--127
               Isabel Abril and   
       Rafael Garcia-Molina and   
              Pablo de Vera and   
            Ioanna Kyriakou and   
          Dimitris Emfietzoglou   Inelastic Collisions of Energetic
                                  Protons in Biological Media  . . . . . . 129--164
       Claudia C. Montanari and   
              Jorge E. Miraglia   The Dielectric Formalism for Inelastic
                                  Processes in High-Energy Ion-Matter
                                  Collisions . . . . . . . . . . . . . . . 165--201
Mario A. Bernal-Rodríguez and   
              Jacinto A. Liendo   Single Ionization of Liquid Water by
                                  Protons, Alpha Particles, and Carbon
                                  Nuclei: Comparative Analysis of the
                                  Continuum Distorted Wave Methodologies
                                  and Empirical Models . . . . . . . . . . 203--229
        Roberto D. Rivarola and   
          Mariel E. Galassi and   
         Pablo D. Fainstein and   
            Christophe Champion   Computation of Distorted Wave Cross
                                  Sections for High-Energy Inelastic
                                  Collisions of Heavy Ions with Water
                                  Molecules  . . . . . . . . . . . . . . . 231--267
        Christophe Champion and   
            Jocelyn Hanssen and   
            Roberto D. Rivarola   The First Born Approximation for
                                  Ionization and Charge Transfer in
                                  Energetic Collisions of Multiply Charged
                                  Ions with Water  . . . . . . . . . . . . 269--313
               Tom Kirchner and   
           Mitsuko Murakami and   
            Marko Horbatsch and   
    Hans Jürgen Lüdde   Ion Collisions with Water Molecules: a
                                  Time-Dependent Density Functional Theory
                                  Approach . . . . . . . . . . . . . . . . 315--337
            Dzevad Belki\'c and   
                Ivan Mancev and   
              Nenad Milojevi\'c   Four-Body Theories for Transfer
                                  Ionization in Fast Ion-Atom Collisions   339--362
        Volodymyr Yu. Lazur and   
              Mykhaylo V. Khoma   Distorted Wave Theories for One- and
                                  Two-Electron Capture in Fast Atomic
                                  Collisions . . . . . . . . . . . . . . . 363--405
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mechanistic Repair-Based Padé
                                  Linear--Quadratic Model for Cell
                                  Response to Radiation Damage . . . . . . 407--449
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 451--461
                      Anonymous   Advances in Quantum Chemistry  . . . . . ??
                      Anonymous   Advances in Quantum Chemistry  . . . . . ??
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??


Advances in Quantum Chemistry
Volume 66, 2013

              John R. Sabin and   
          Erkki J. Brändas   Series Page  . . . . . . . . . . . . . . ii--ii
              John R. Sabin and   
          Erkki J. Brändas   Copyright  . . . . . . . . . . . . . . . iv--iv
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . vii--viii
              John R. Sabin and   
          Erkki J. Brändas   Contributors . . . . . . . . . . . . . . ix--ix
          Lawrence J. Dunne and   
          Erkki J. Brändas   Review of Off-Diagonal Long-Range Order
                                  and High-Temperature Superconductivity
                                  from Repulsive Electronic Correlations   1--30
                Dennis Caldwell   Conundrums in Chemical Physics . . . . . 31--111
        Christopher Stopera and   
           Thomas V. Grimes and   
        Patrick M. McLaurin and   
             Austin Privett and   
               Jorge A. Morales   Some Recent Developments in the
                                  Simplest-Level Electron Nuclear Dynamics
                                  Method: Theory, Code Implementation, and
                                  Applications to Chemical Dynamics  . . . 113--194
              Nanna H. List and   
Hans Jòrgen Aa. Jensen and   
             Jacob Kongsted and   
         Erik D. Hedegård   A Unified Framework for the Polarizable
                                  Embedding and Continuum Methods Within
                                  Multiconfigurational Self-consistent
                                  Field Theory . . . . . . . . . . . . . . 195--238
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 239--248


Advances in Quantum Chemistry
Volume 67, 2013

               Philip E. Hoggan   Advances in Quantum Chemistry  . . . . . i--i
               Philip E. Hoggan   Editorial Board  . . . . . . . . . . . . ii--ii
               Philip E. Hoggan   Advances in Quantum Chemistry  . . . . . iii--iii
               Philip E. Hoggan   Copyright  . . . . . . . . . . . . . . . iv--iv
               Philip E. Hoggan   Preface  . . . . . . . . . . . . . . . . ix--x
               Philip E. Hoggan   Contributors . . . . . . . . . . . . . . xi--xiii
               F. E. Harris and   
                   V. V. Albert   Fully Correlated Wavefunctions for
                                  Three- and Four-Body Systems . . . . . . 3--18
              A. J. Thakkar and   
                 S. P. McCarthy   Electron and Electron-Pair Number and
                                  Momentum Densities for Low-Lying States
                                  of He, H$^-$, and Li$^+$ . . . . . . . . 19--54
         J. E. Pérez and   
              O. E. Taurian and   
                J. C. Cesco and   
                A. E. Rosso and   
               C. C. Denner and   
    C. J. Alturria Lanzardo and   
                F. S. Ortiz and   
                 A. Bouferguene   A Basis Sets Composed of Only $ 1 s $
                                  Slater Orbitals and $ 1 s $ Gaussian
                                  Orbitals to Perform Molecular
                                  Calculations, SCF-LCAO Approach  . . . . 55--64
         J. E. Pérez and   
              O. E. Taurian and   
             A. Bouferguene and   
                   P. E. Hoggan   On a Transformation for the
                                  Electrostatic Potential, Generated by
                                  the Product of Two $ 1 s $ Slater Type
                                  Orbitals, Giving an Efficient Expression 65--71
                 C. Coletti and   
               D. Calderini and   
                   V. Aquilanti   $d$-Dimensional Kepler--Coulomb
                                  Sturmians and Hyperspherical Harmonics
                                  as Complete Orthonormal Atomic and
                                  Molecular Orbitals . . . . . . . . . . . 73--127
                    J. E. Avery   Fast Electron Repulsion Integrals for
                                  Molecular Coulomb Sturmians  . . . . . . 129--151
                 G. Gasaneo and   
             L. U. Ancarani and   
               D. M. Mitnik and   
             J. M. Randazzo and   
           A. L. Frapiccini and   
              F. D. Colavecchia   Three-Body Coulomb Problems with
                                  Generalized Sturmian Functions . . . . . 153--216
                   S. Aksoy and   
                   S. Firat and   
                 M. Ertürk   Further Improvements on $ \psi^{(\alpha
                                  *)}$-ETOs with Hyperbolic Cosine
                                  Functions and Their Effectiveness in
                                  Atomic Calculations  . . . . . . . . . . 217--230
  N. Yükçü and   
                E. Öztekin   Reducing and Solving Electric Multipole
                                  Moment Integrals . . . . . . . . . . . . 231--243
               S. Özay and   
                E. Öztekin   Recurrence Relations for Radial Parts of
                                  STOs and Evaluation of Overlap Integrals
                                  via the Fourier Transform Methods  . . . 245--265
                 M. B. Ruiz and   
                   A. M. Frolov   On the $ \beta^-$-Decay in the $^8$Li
                                  and $^9$Li Atoms . . . . . . . . . . . . 267--289
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 291--296


Advances in Quantum Chemistry
Volume 68, 2014

              H. J. Silverstone   On the Convergence of the
                                  Interpenetrating Bipolar Expansion for
                                  the Coulomb Potential  . . . . . . . . . 3--18
                       D. Levin   Behavior Preserving Extension of
                                  Univariate and Bivariate Functions . . . 19--42
                    A. Sidi and   
                 D. Pinchon and   
                   P. E. Hoggan   Asymptotic Expansions of
                                  Barnett--Coulson--Löwdin Functions of
                                  High Order . . . . . . . . . . . . . . . 43--76
               J. J. Goings and   
                    F. Ding and   
                          X. Li   Self-Consistent Field using Direct
                                  Inversion in Iterative Subspace Method
                                  and Quasi-Newton Vectors . . . . . . . . 77--86
               P. E. Hoggan and   
                 A. Bouferguene   Relative Advantages of Quantum Monte
                                  Carlo Simulation for Changing Electron
                                  Correlation: CO Reactions on Copper and
                                  Platinum Catalysts . . . . . . . . . . . 89--103
                A. Buksztel and   
                 S. \'Smiga and   
                   I. Grabowski   OEP Orbitals as a Reference for Ab
                                  Initio Many-Body Calculations  . . . . . 105--123
                 S. \'Smiga and   
                A. Buksztel and   
                   I. Grabowski   Density-Dependent Exchange-Correlation
                                  Potentials Derived From highly Accurate
                                  Ab initio Calculations . . . . . . . . . 125--151
                 M. Musia\l and   
           J. Cembrzy\'nska and   
                    L. Meissner   Potential Energy Curves via Double
                                  Ionization Potential Calculations:
                                  Example of HF Molecule . . . . . . . . . 153--172
                 R. Ghomari and   
             A. Bouferguene and   
               P. E. Hoggan and   
               S. M. Mekelleche   A Density Functional Theory Study of the
                                  Adsorption of 2-Cyclohexenone on Rh(111) 175--190
               D. C. Joseph and   
                 B. C. Saha and   
                    J-P. Gu and   
           H. P. Liebermann and   
                   P. Funke and   
                  R. J. Buenker   The (SiH)$^{3+}$ Quasi-Molecule in the
                                  Adiabatic Representation . . . . . . . . 191--202
              S. Bellayouni and   
                I. Jendoubi and   
                 N. Mabrouk and   
                    H. Berriche   Systematic Study of the Electronic
                                  Properties and Trends in the LiX (X =
                                  Na, K, Rb, Cs and Fr) Molecules  . . . . 203--238
            F. Bouchelaghem and   
                  M. Bouledroua   Isotopic Effects in the Li$^+$--Li
                                  Collisions at Lower and Higher
                                  Temperatures . . . . . . . . . . . . . . 239--255
                  I. Lafifi and   
                      D. Khatmi   Theoretical Investigation of the
                                  Intramolecular H-Bonding on Tautomerism  257--268
                   M. Rahim and   
                    F. Madi and   
                   L. Nouar and   
                 S. Haiahem and   
                   D. Fateh and   
                      D. Khatmi   $ \beta $-Cyclodextrin Interaction with
                                  Edaravone: Molecular Modeling Study  . . 269--278
                 I. Djilani and   
                   L. Nouar and   
                    F. Madi and   
                 S. Haiahem and   
               A. Bouhadiba and   
                      D. Khatmi   Molecular Modeling Study of Neutral and
                                  Cationic Species of Ortho-Anisidine by $
                                  \beta $-Cyclodextrin . . . . . . . . . . 279--291
                 S. Djeroud and   
                    F. Adjailia   First-Principles Calculations of
                                  Electronic and Optical Properties of
                                  LiAlH$_4$ in its Monoclinic and
                                  Tetragonal Phases  . . . . . . . . . . . 293--313
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 315--320


Advances in Quantum Chemistry
Volume 69, 2014

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . ix
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
             Peter Politzer and   
                 Jane S. Murray   Detonation Performance and Sensitivity:
                                  a Quest for Balance  . . . . . . . . . . 1--30
            Elliot R. Bernstein   On the Release of Stored Energy from
                                  Energetic Materials  . . . . . . . . . . 31--69
                Maija M. Kuklja   Quantum-Chemical Modeling of Energetic
                                  Materials: Chemical Reactions Triggered
                                  by Defects, Deformations, and Electronic
                                  Excitations  . . . . . . . . . . . . . . 71--145
               Ajith Perera and   
             Rodney J. Bartlett   Geometric Metastability in Molecules as
                                  a Way to Enhance Energy Storage  . . . . 147--170
         DeCarlos E. Taylor and   
                  Betsy M. Rice   Quantum-Informed Multiscale M&S for
                                  Energetic Materials  . . . . . . . . . . 171--219
              M. Riad Manaa and   
              Laurence E. Fried   The Reactivity of Energetic Materials
                                  Under High Pressure and Temperature  . . 221--252
          Putikam Raghunath and   
                N. T. Nghia and   
                 Ming-Chang Lin   Ab Initio Chemical Kinetics of Key
                                  Processes in the Hypergolic Ignition of
                                  Hydrazine and Nitrogen Tetroxide . . . . 253--301
           Marta Galy\'nska and   
                 Petter Persson   Material Dependence of Water
                                  Interactions with Metal Oxide
                                  Nanoparticles: TiO$_2$, SiO$_2$,
                                  GeO$_2$, and SnO$_2$ . . . . . . . . . . 303--332
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 333--344


Advances in Quantum Chemistry
Volume 70, 2015

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . ix--xi
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xiv
            Kimichika Fukushima   Electronic Structure Calculations for
                                  Antiferromagnetism of Cuprates Using
                                  SIWB Method for Anions in DV and a
                                  Density Functional Theory Confirming
                                  from Finite Element Method . . . . . . . 1--29
                    Taku Onishi   Quantum Chemistry in Proton-Conductors:
                                  Mechanism Elucidation and Materials
                                  Design . . . . . . . . . . . . . . . . . 31--67
                Yngve Öhrn   Time-Dependent Treatment of Molecular
                                  Processes  . . . . . . . . . . . . . . . 69--109
                    Elena Sheka   Stretching and Breaking of Chemical
                                  Bonds, Correlation of Electrons, and
                                  Radical Properties of Covalent Species   111--161
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mechanistic Radiobiological Models for
                                  Repair of Cellular Radiation Damage  . . 163--263
           James Emil Avery and   
              John Scales Avery   Molecular Integrals for Exponential-Type
                                  Orbitals Using Hyperspherical Harmonics  265--324
                   M. Shoji and   
                   H. Isobe and   
                S. Yamanaka and   
                   Y. Umena and   
                K. Kawakami and   
                  N. Kamiya and   
                 J.-R. Shen and   
                T. Nakajima and   
                   K. Yamaguchi   Large-Scale QM/MM Calculations of
                                  Hydrogen Bonding Networks for Proton
                                  Transfer and Water Inlet Channels for
                                  Water Oxidation-Theoretical System
                                  Models of the Oxygen-Evolving Complex of
                                  Photosystem II . . . . . . . . . . . . . 325--413
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 415--425


Advances in Quantum Chemistry
Volume 71, 2015

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv
   Remigio Cabrera-Trujillo and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . xi--xii
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xv
                    Per Kaijser   Frank Harris, a Master of Mountains  . . 1--9
        Debajit Chakraborty and   
                James Dufty and   
           Valentin V. Karasiev   System-Size Dependence in Grand
                                  Canonical and Canonical Ensembles  . . . 11--27
        Stephan P. A. Sauer and   
            Jens Oddershede and   
                  John R. Sabin   The Mean Excitation Energy of Atomic
                                  Ions . . . . . . . . . . . . . . . . . . 29--40
Daniel Mejía-Rodríguez and   
              Xiaomin Huang and   
         Jorge M. del Campo and   
         Andreas M. Köster   Hybrid Functionals with Variationally
                                  Fitted Exact Exchange  . . . . . . . . . 41--67
           Salvador A. Cruz and   
                Eugenio Ley-Koo   The Hydrogen H$_2^+$ and HeH$^{2+}$
                                  Molecular Ions Confined in Dihedral
                                  Angles . . . . . . . . . . . . . . . . . 69--113
Ricardo Méndez-Fragoso and   
                Eugenio Ley-Koo   Angular Momentum Theory in Bases of Lamé
                                  Spheroconal Harmonics  . . . . . . . . . 115--152
          Joseph G. Fripiat and   
        Beno\^\it Champagne and   
                Frank E. Harris   The Fourier Space Restricted
                                  Hartree--Fock Method for the Electronic
                                  Structure Calculation of
                                  One-Dimensionally Periodic Systems . . . 153--194
                 David A. Micha   Generalized Response Theory for a
                                  Photoexcited Many-Atom System  . . . . . 195--220
       Valentin V. Karasiev and   
              Samuel B. Trickey   Frank Discussion of the Status of
                                  Ground-State Orbital-Free DFT  . . . . . 221--245
             Vasilios G. Koures   Statistical Inference with Minimum
                                  Relative Entropy: a Robust Numerical
                                  Algorithm Employing Sinc Quadrature  . . 247--263
              Frank Stenger and   
               Gerd Baumann and   
             Vasilios G. Koures   Computational Methods for Chemistry and
                                  Physics, and Schrödinger in $ 3 + 1^1 $   265--298
Ricardo Román-Ancheyta and   
    José Récamier   Approximate Coherent States for
                                  Nonlinear Systems  . . . . . . . . . . . 299--322
  Marcelo Hidalgo Cardenuto and   
            Kaline Coutinho and   
      Benedito J. C. Cabral and   
                  Sylvio Canuto   Electronic Properties in Supercritical
                                  Fluids: the Absorption Spectrum of
                                  $p$-Nitroaniline in Supercritical Water  323--339
Ricardo Méndez-Fragoso and   
       Remigio Cabrera-Trujillo   On a Hyperbolic Solution to the
                                  Nonlinear Schrödinger Equation for a
                                  Square Well Potential Coupled to a
                                  Contact Impurity at the Delocalization
                                  Threshold  . . . . . . . . . . . . . . . 341--352
Fco. Javier Domínguez-Gutiérrez and   
        Predrag S. Krsti\'c and   
       Remigio Cabrera-Trujillo   Multiresolution Approach for
                                  Laser-Modified Collisions of Atoms and
                                  Ions . . . . . . . . . . . . . . . . . . 353--371
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 373--382


Advances in Quantum Chemistry
Volume 72, 2016

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv
   Remigio Cabrera-Trujillo and   
                  John R. Sabin   Preface  . . . . . . . . . . . . . . . . ix
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
           Jeffrey Wrighton and   
                James Dufty and   
                 Sandipan Dutta   Finite Temperature Quantum Effects in
                                  Many-Body Systems by Classical Methods   1--11
                 Predrag Krstic   Response of a DNA Hydrogen Bond to a
                                  Force in Liquid  . . . . . . . . . . . . 13--28
               Ajith Perera and   
               Jorge A. Morales   Implementation of a Parallel
                                  Linear-Response Coupled-Cluster-Theory
                                  Module in ACES III: First Application to
                                  the Static Polarizabilities of the
                                  C$_{20}$ Isomers and of the
                                  Biphospholylidene Dioxide and Disulfide
                                  Oligomers  . . . . . . . . . . . . . . . 29--60
Caterine Jaramillo-González and   
      Rodrigo Morales Cueto and   
William Rodríguez-Córdoba   Absorption and Emission Spectra of
                                  Anthracene-$9$-Carboxylic Acid in
                                  Solution Within the Polarizable
                                  Continuum Model: a Long-Range Corrected
                                  Time Dependent Density Functional Study  61--94
         Barry I. Schneider and   
                Xiaoxu Guan and   
                Klaus Bartschat   Time Propagation of Partial Differential
                                  Equations Using the Short Iterative
                                  Lanczos Method and Finite-Element
                                  Discrete Variable Representation . . . . 95--127
César X. Almora-Díaz and   
  Herzain I. Rivera-Arrieta and   
                Carlos F. Bunge   Recent Progress in the Variational
                                  Orbital Approach to Atomic and Molecular
                                  Electronic Structure . . . . . . . . . . 129--176
Heriberto Cruz-Martínez and   
José Manuel Vásquez-Pérez and   
         Omar Solorza Feria and   
            Patrizia Calaminici   On the Ground State Structures and
                                  Energy Properties of Co$_n$ Pd$_n$ ($n$
                                  = 1--10) Clusters  . . . . . . . . . . . 177--199
             Monika Musia\l and   
                 Anna Motyl and   
            Patrycja Skupin and   
        Stanis\law A. Kucharski   Potential Energy Curves for the
                                  Low-Lying Electronic States of KLi with
                                  Fock Space Coupled Cluster Method  . . . 201--216
                Yngve Öhrn   The Dirac Equation as Guide to
                                  Nonrelativistic Hamiltonian Terms  . . . 217--227
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 229--235


Advances in Quantum Chemistry
Volume 73, 2017

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii--ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
           Philip E. Hoggan and   
                 Telhat Ozdogan   Preface  . . . . . . . . . . . . . . . . xi--xii
                      Anonymous   Contributors . . . . . . . . . . . . . . xiii--xvi
Carlos Mario Granados-Castro and   
       Lorenzo Ugo Ancarani and   
            Gustavo Gasaneo and   
                Dario M. Mitnik   A Sturmian Approach to Photoionization
                                  of Molecules . . . . . . . . . . . . . . 3--57
         Yusaku I. Kurokawa and   
         Hiroyuki Nakashima and   
              Hiroshi Nakatsuji   General Coalescence Conditions for the
                                  Exact Wave Functions: Higher-Order
                                  Relations for Coulombic and
                                  Non-Coulombic Systems  . . . . . . . . . 59--79
                Frank E. Harris   Exponentially Correlated Wave Functions
                                  for Four-Body Systems  . . . . . . . . . 81--102
     Magdalena Zientkiewicz and   
             Krzysztof Pachucki   Analytic Formulas for Two-Center
                                  Two-Electron Integrals with Exponential
                                  Functions  . . . . . . . . . . . . . . . 103--118
María Belén Ruiz and   
           Federico Latorre and   
               Alexei M. Frolov   Singlet and Triplet Bound State Spectra
                                  in the Four-Electron Be-Like Atomic
                                  Systems  . . . . . . . . . . . . . . . . 119--138
           Philip E. Hoggan and   
      Jorge E. Pérez and   
              Ahmed Bouferguene   An Application of the Gaussian Transform
                                  for Approximating Some Bessel Functions
                                  and Multicenter Integrals Involving 1s
                                  Slater-Type Orbitals . . . . . . . . . . 139--144
               Murat Erturk and   
                Leszek Meissner   Size-Extensivity Corrections in Single-
                                  and Multireference Configuration
                                  Interaction Calculations . . . . . . . . 145--160
                      Jun Yasui   Introducing a Polynomial Expression of
                                  Molecular Integrals for the Algebraic
                                  Molecular Orbital (MO) Equation  . . . . 161--172
             Telhat Ozdogan and   
                  Melek Eraslan   Analytic Calculation of Momentum
                                  Distribution and Compton Profiles of
                                  Atoms Using Hartree--Fock--Roothaan
                                  Method: Applications to Atoms $ 2 \leq Z
                                  \leq 10 $  . . . . . . . . . . . . . . . 173--182
              Selda Akdemir and   
Niyazi Yükçü and   
              Emin Öztekin   Evaluation of One-Electron Basic
                                  Integrals of Irregular Solid Harmonics
                                  and Slater-Type Orbitals Using Fourier
                                  Transforms . . . . . . . . . . . . . . . 183--195
           Katarzyna Pernal and   
      Nikitas I. Gidopoulos and   
                 Ewa Pastorczak   Excitation Energies of Molecules from
                                  Ensemble Density Functional Theory:
                                  Multiconfiguration Approaches  . . . . . 199--229
      Daniel H. Gebremedhin and   
         Charles A. Weatherford   Application of the Space-Pseudo-Time
                                  Method to Density Functional Theory  . . 231--247
              Monika Musial and   
            Patrycja Skupin and   
                     Anna Motyl   Potential Energy Curves of NaK Molecule
                                  from All-Electron Multireference-Coupled
                                  Cluster Calculations . . . . . . . . . . 249--262
              Adam Buksztel and   
             Szymon \'Smiga and   
             Ireneusz Grabowski   The Correlation Effects in Density
                                  Functional Theory Along the Dissociation
                                  Path . . . . . . . . . . . . . . . . . . 263--283
            Julien Toulouse and   
             Roland Assaraf and   
               Cyrus J. Umrigar   Introduction to the Variational and
                                  Diffusion Monte Carlo Methods  . . . . . 285--314
         Alessandro Roggero and   
                 Paolo Mori and   
         Abhishek Mukherjee and   
             Francesco Pederiva   Configuration Interaction Monte Carlo
                                  with Coupled Clusters Wave Functions . . 315--332
          Alessandro Genoni and   
                 Benjamin Meyer   X-Ray Constrained Wave Functions:
                                  Fundamentals and Effects of the
                                  Molecular Orbitals Localization  . . . . 333--362
         A. K. Fazlul Haque and   
       M. Atiqur R. Patoary and   
             M. Alfaz Uddin and   
              Arun K. Basak and   
                 Bidhan C. Saha   Electron Impact Atomic and Ionic
                                  Ionization: Analytical, Semiempirical,
                                  and Semiclassical Methods  . . . . . . . 363--414
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 415--423


Advances in Quantum Chemistry
Volume 74, 2017

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii--ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . xi--xii
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . xiii--xiv
             Jan Linderberg and   
            Yngve Öhrn and   
      Erkki J. Brändas and   
                  John R. Sabin   Per-Olov Löwdin . . . . . . . . . . . . . 1--7
                 Jan Linderberg   From Numerical Orbitals to Analytical
                                  Ones and Back  . . . . . . . . . . . . . 9--32
                Yngve Öhrn   The Time-Dependent Variational Principal
                                  in Quantum Mechanics and Its Application 33--51
                Carlos F. Bunge   Specifics on the Scientific Legacy of
                                  Per-Olov Löwdin . . . . . . . . . . . . . 53--82
                Ingvar Lindgren   Time-Dependent Perturbation Theory with
                                  Application to Atomic Systems  . . . . . 83--105
                 David A. Micha   Quantum Partitioning Methods for
                                  Few-Atom and Many-Atom Dynamics  . . . . 107--128
            Manuel Berrondo and   
           Jose Récamier   Vibrational Quantum Squeezing Induced by
                                  Inelastic Collisions . . . . . . . . . . 129--147
        Cleanthes A. Nicolaides   Resonances in the Continuum,
                                  Field-Induced Nonstationary States, and
                                  the State- and Property-Specific
                                  Treatment of the Many-Electron Problem   149--181
          Lawrence J. Dunne and   
      Erkki J. Brändas and   
                      Hazel Cox   High-Temperature Superconductivity in
                                  Strongly Correlated Electronic Systems   183--208
                   Sven Larsson   Quantum Chemistry and Superconductors    209--226
                  Orlando Tapia   State-Quantum-Chemistry Set in a
                                  Photonic Framework . . . . . . . . . . . 227--251
  Marcelo Hidalgo Cardenuto and   
            Kaline Coutinho and   
                  Sylvio Canuto   Quantum Chemistry with Thermodynamic
                                  Condition. A Journey into the
                                  Supercritical Region and Approaching the
                                  Critical Point . . . . . . . . . . . . . 253--265
     Héctor H. Corzo and   
                 J. Vince Ortiz   Electron Propagator Theory: Foundations
                                  and Predictions  . . . . . . . . . . . . 267--298
           Vipin Srivastava and   
               Suchitra Sampath   Cognition of Learning and Memory: What
                                  Have Löwdin's Orthogonalizations Got to
                                  Do With That?  . . . . . . . . . . . . . 299--319
                Arie Landau and   
      Debarati Bhattacharya and   
               Idan Haritan and   
            Anael Ben-Asher and   
                Nimrod Moiseyev   Ab Initio Complex Potential Energy
                                  Surfaces From Standard Quantum Chemistry
                                  Packages . . . . . . . . . . . . . . . . 321--346
            Dzevad Belki\'c and   
                 Karen Belki\'c   High-Resolution Quantum-Mechanical
                                  Signal Processing for in vivo NMR
                                  Spectroscopy . . . . . . . . . . . . . . 347--379
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 381--392


Advances in Quantum Chemistry
Volume 75, 2017

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii--ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . xi--xii
            Barak Hirshberg and   
                R. Benny Gerber   Mean-Field Methods for Time-Dependent
                                  Quantum Dynamics of Many-Atom Systems    1--26
               Isidore Last and   
                 Joshua Jortner   Electron-Ion Impact Energy Transfer in
                                  Nanoplasmas of Coulomb Exploding
                                  Clusters . . . . . . . . . . . . . . . . 27--52
             Stine T. Olsen and   
        Asbjòrn Bols and   
            Thorsten Hansen and   
              Kurt V. Mikkelsen   Molecular Properties of Sandwiched
                                  Molecules Between Electrodes and
                                  Nanoparticles  . . . . . . . . . . . . . 53--102
                 John W. Perram   Criterion for the Validity of
                                  D'Alembert's Equations of Motion . . . . 103--116
            Adam P. Ashwell and   
             Mark A. Ratner and   
               George C. Schatz   A Time-Dependent Density Functional
                                  Theory Study of the Impact of Ligand
                                  Passivation on the Plasmonic Behavior of
                                  Ag Nanoclusters  . . . . . . . . . . . . 117--145
              Michael Sabio and   
                     Sid Topiol   Switching Activity of Allosteric
                                  Modulators Controlled by a Cluster of
                                  Residues Forming a Pressure Point in the
                                  mGluR5 GPCR: a Computational
                                  Investigation  . . . . . . . . . . . . . 147--174
           Eric A. Buchanan and   
              Zdenek Havlas and   
                    Josef Michl   Singlet Fission: Optimization of
                                  Chromophore Dimer Geometry . . . . . . . 175--227
            Jens Oddershede and   
            John F. Ogilvie and   
        Stephan P. A. Sauer and   
                  John R. Sabin   Continuum Contributions to Dipole
                                  Oscillator-Strength Sum Rules for
                                  Hydrogen in Finite Basis Sets  . . . . . 229--241
                 Jan Linderberg   Features of Nearly Spherical Electronic
                                  Systems  . . . . . . . . . . . . . . . . 243--266
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 267--272


Advances in Quantum Chemistry
Volume 76, 2018

               Philip E. Hoggan   Series Page  . . . . . . . . . . . . . . ii
               Philip E. Hoggan   Copyright  . . . . . . . . . . . . . . . iv--iv
               Philip E. Hoggan   Contributors . . . . . . . . . . . . . . xi--xiv
                  Philip Hoggan   Preface  . . . . . . . . . . . . . . . . xv--xvi
                Carlos F. Bunge   Present Status of Selected Configuration
                                  Interaction With Truncation Energy Error 3--34
                     Avram Sidi   Recent Developments in Asymptotic
                                  Expansions From Numerical Analysis and
                                  Approximation Theory . . . . . . . . . . 35--57
   Eduardo V. Ludeña and   
        Darío Arroyo and   
          Edison X. Salazar and   
                  Jorge Vallejo   The Kinetic Energy Pauli Enhancement
                                  Factor and Its Role in Determining the
                                  Shell Structure of Atoms and Molecules   59--78
       Jessica A. Del Punta and   
            Gustavo Gasaneo and   
            Lorenzo U. Ancarani   On the Laguerre Representation of
                                  Coulomb Functions and the Relation to
                                  Orthogonal Polynomials . . . . . . . . . 79--101
           John C. Morrison and   
                    Jacek Kobus   Numerical Hartree Fock and Many-Body
                                  Calculations for Diatomic Molecules  . . 103--116
     Alejandra M. P. Mendez and   
            Dario M. Mitnik and   
              Jorge E. Miraglia   Local Effective Hartree Fock Potentials
                                  Obtained by the Depurated Inversion
                                  Method . . . . . . . . . . . . . . . . . 117--132
             James E. Avery and   
                  John S. Avery   4-Center STO Interelectron Repulsion
                                  Integrals With Coulomb Sturmians . . . . 133--146
       Giuseppe M. J. Barca and   
    Pierre-François Loos   Recurrence Relations for Four-Electron
                                  Integrals Over Gaussian Basis Functions  147--165
              Nabil Joudieh and   
                   Ali Ba c and   
               Philip E. Hoggan   Ab Initio Molecular Local Nuclear
                                  Magnetic Shielding Tensors . . . . . . . 167--183
                Frank E. Harris   Atomic Electronic Structure Computations
                                  With Hylleraas-CI Wave Functions . . . . 187--210
         Daniel Gebremedhin and   
            Charles Weatherford   One-Particle Effective Potential for
                                  Helium Atom  . . . . . . . . . . . . . . 211--222
María Belén Ruiz and   
             Robert Tröger   Configuration Interaction Study of the
                                  3P Ground State of the Carbon Atom . . . 223--238
         Alessandro Roggero and   
             Francesco Pederiva   Extension of the Configuration
                                  Interaction Monte Carlo Method to Atoms
                                  and Molecules  . . . . . . . . . . . . . 241--253
            Bastien Mussard and   
            Emanuele Coccia and   
             Roland Assaraf and   
              Matthew Otten and   
           Cyrus J. Umrigar and   
                Julien Toulouse   Time-Dependent Linear-Response
                                  Variational Monte Carlo  . . . . . . . . 255--270
               Philip E. Hoggan   Quantum Monte Carlo Calculations for
                                  Industrial Catalysts: Accurately
                                  Evaluating the H$_2$ Dissociation
                                  Reaction Barrier on Pt(111)  . . . . . . 271--278
          Mateusz Witkowski and   
                Szymon miga and   
             Ireneusz Grabowski   Density-Based Analysis of Spin-Resolved
                                  MP2 Method . . . . . . . . . . . . . . . 279--293
       Patrick J. Lestrange and   
           Mark R. Hoffmann and   
                    Xiaosong Li   Time-Dependent Configuration Interaction
                                  Using the Graphical Unitary Group
                                  Approach: Nonlinear Electric Properties  295--313
            Diego R. Alcoba and   
               Alicia Torre and   
                  Luis Lain and   
       Ofelia B. Oña and   
      Gustavo E. Massaccesi and   
                  Pablo Capuzzi   Hybrid Treatments Based on Determinant
                                  Seniority Numbers and Spatial Excitation
                                  Levels in the Configuration Interaction
                                  Framework  . . . . . . . . . . . . . . . 315--332


Advances in Quantum Chemistry
Volume 77, 2018

                      Anonymous   Series Page  . . . . . . . . . . . . . . ii--ii
                      Anonymous   Copyright  . . . . . . . . . . . . . . . iv--iv
                      Anonymous   Contributors . . . . . . . . . . . . . . ix--x
              John R. Sabin and   
          Erkki J. Brändas   Preface  . . . . . . . . . . . . . . . . xi--xii
            Michael Hehenberger   Per-Olov Löwdin's Impact on a ``Lost
                                  Son''  . . . . . . . . . . . . . . . . . 1--18
                W. Grant Cooper   Consequences of EPR--Proton Qubits
                                  Populating DNA . . . . . . . . . . . . . 19--120
           Abul K. F. Haque and   
                Malik Maaza and   
               Md. M. Haque and   
      Md. Atiqur R. Patoary and   
            Md. Alfaz Uddin and   
         Md. Ismail Hossain and   
           Md. Selim Mahbub and   
              Arun K. Basak and   
                 Bidhan C. Saha   Electron-Impact Ionization Cross
                                  Sections for Inner $L$- and
                                  $M$-Subshells of Atomic Targets at
                                  Relativistic Energies  . . . . . . . . . 121--165
                 Milan Randi\'c   Aromaticity Revisited  . . . . . . . . . 167--199
                  Hazel Cox and   
            Adam L. Baskerville   The Series Solution Method in Quantum
                                  Chemistry for Three-Particle Systems . . 201--240
   Svetlana A. Malinovskaya and   
                   Gengyuan Liu   Adiabatic Passage Control Methods for
                                  Ultracold Alkali Atoms and Molecules via
                                  Chirped Laser Pulses and Optical
                                  Frequency Combs  . . . . . . . . . . . . 241--294
   Remigio Cabrera-Trujillo and   
                Jens Oddershede   Dipole Sum Rules of an Endohedral
                                  Confined Hydrogen Atom: Effects of the
                                  Cavity Discontinuity . . . . . . . . . . 295--315
             Kousik Samanta and   
          Tsednee Tsogbayar and   
             Song Bin Zhang and   
                Danny L. Yeager   Electron--Atom and Electron--Molecule
                                  Resonances: Some Theoretical Approaches
                                  Using Complex Scaled
                                  Multiconfigurational Methods . . . . . . 317--390
          Tamaz Kereselidze and   
                John F. Ogilvie   The Hydrogen-Atom Problem and Coulomb
                                  Sturmian Functions in Spheroidal
                                  Coordinates  . . . . . . . . . . . . . . 391--421
                      Anonymous   Index  . . . . . . . . . . . . . . . . . 423--432