%%% -*-BibTeX-*- %%% ==================================================================== %%% BibTeX-file{ %%% author = "Nelson H. F. Beebe", %%% version = "1.23", %%% date = "10 November 2023", %%% time = "16:32:45 MST", %%% filename = "hartree-douglas-r.bib", %%% address = "University of Utah %%% Department of Mathematics, 110 LCB %%% 155 S 1400 E RM 233 %%% Salt Lake City, UT 84112-0090 %%% USA", %%% telephone = "+1 801 581 5254", %%% FAX = "+1 801 581 4148", %%% URL = "https://www.math.utah.edu/~beebe", %%% checksum = "13241 19461 93623 926661", %%% email = "beebe at math.utah.edu, beebe at acm.org, %%% beebe at computer.org (Internet)", %%% codetable = "ISO/ASCII", %%% keywords = "Appleton--Hartree equation; bibliography; %%% BibTeX; Buneman--Hartree condition; Buneman %%% algorithm (Fast Poisson Solver); Buneman %%% instability; Buneman potential; %%% Crank--Nicolson method for finite %%% differences; determinantal wavefunctions; %%% Douglas Rayner Hartree; Hartree unit; %%% Hartree--Fock method; quantum chemistry; %%% self-consistent field (SCF); SPLASH (Stanford %%% Particle Algorithm Solver); TRISTAN %%% (Tri-dimensional Stanford code)", %%% license = "public domain", %%% supported = "yes", %%% docstring = "This is a bibliography works by, and about, %%% the English computer scientist, engineer, %%% mathematician, and physicist Douglas Rayner %%% Hartree FRS (27 March 1897--12 February %%% 1958). Rayner is his mother's maiden name, %%% and she was the first woman mayor of %%% Cambridge, UK (see p. 138 of entry %%% Gavroglou:2011:DRH). %%% %%% NB: In most of Hartree's publications, he %%% used the author name D. R. Hartree, and we %%% generally follow that here. However, for %%% co-authors, when expansions of initials can %%% be found, they are used instead, in the %%% interests of reducing ambiguity in author %%% names. %%% %%% Douglas Hartree is reported by his family to %%% have rarely kept copies of his extensive %%% correspondence with fellow scientists, but %%% the UK National Archives include records of %%% letters to him by others, including several %%% from Sir Lawrence Bragg. Thus, it would be %%% difficult for a historian to create a book %%% about those exchanges, as has been done for %%% Born--Einstein, Jung--Pauli, Meitner--von %%% Laue, and other pairs. %%% %%% During World War I (1914--1918), Douglas %%% Hartree interrupted his undergraduate studies %%% at the University of Cambridge in 1915 to %%% join his engineer father, William Hartree (8 %%% April 1870--27 April 1943), to work on %%% numerical computations. The two continued to %%% collaborate until William Hartree's death. %%% As Darwin's biographical memoir for Douglas %%% Hartree (see entry Darwin:1958:DRH) notes: %%% %%% ... the relationship, was an exceptional %%% one, because the son was the leader and %%% the father ranked as the junior in this %%% work. %%% %%% Hartree's work during World War I was on %%% modeling anti-aircraft gunnery and %%% ballistics, and he was commissioned as a %%% Lieutenant in the Royal Naval Volunteer %%% Reserve. Darwin's memoir reports on page 14: %%% %%% His [Douglas Hartree's] main activity was %%% in the integration of the differential %%% equations for trajectories, and in this %%% at the age of 20 he introduced a reform %%% which may not now seem very %%% revolutionary, but which must have been %%% rather disturbing for the older %%% practitioners of the science. By %%% tradition the angle of elevation of the %%% trajectory had always been used as the %%% independent variable, and the %%% co-ordinates and the time were expressed %%% in terms of it. He showed that there %%% would be great advantages in using the %%% time itself as the independent variable, %%% and expressing all the other quantities %%% in terms of that. He introduced this %%% practice and it is now generally %%% accepted. %%% %%% After the war, in 1919, Douglas Hartree %%% resumed his undergraduate studies at %%% Cambridge, earning in 1922 a Bachelor of Arts %%% degree with First Class Honours in Part I of %%% the Mathematical Tripos, and Second Class %%% Honours in Part II of the Natural Sciences %%% Tripos. He remained at the University of %%% Cambridge for graduate studies in physics %%% under Ralph Howard Fowler, and completed his %%% doctorate in 1926 under [then] Sir [later %%% Lord] Ernest Rutherford (Nobel Prize in %%% Chemistry in 1908), Fowler's father-in-law. %%% %%% [Check: sources disagree on Hartree's %%% doctoral advisor: some say Fowler, but the %%% Mathematics Genealogy Project says %%% Rutherford.] %%% %%% Hartree spent several months (late August, %%% 1928--spring, 1929) with Niels Bohr's group %%% in Copenhagen, Denmark. That was a %%% productive visit, and he collaborated there %%% with the Swedish physicist Ivar Waller on an %%% important paper that we mention later. %%% %%% From October 1929 to 1937, Douglas Hartree %%% held the Boyer Chair of Applied Mathematics %%% in the University of Manchester. He was %%% elected as a Fellow of the Royal Society on 5 %%% May 1932, at the age of 35. In 1937, he %%% became Chair of Theoretical Physics at %%% Manchester, but spent most of the period %%% 1940--1945 on leave, working with the %%% Ministry of Supply on wartime projects. %%% %%% Douglas Hartree's activities at the Ministry %%% of Supply included directing two groups, one %%% solving differential equations with the %%% differential analyzers (some of which was %%% related to the development of nuclear %%% weapons), and the other working on the theory %%% and analysis of the magnetron, an important %%% component in the new radar systems that were %%% critical for air and naval operations. %%% %%% Douglas Hartree was elected President of the %%% Manchester Literary and Philosophical Society %%% in 1939, and in 1945, became Professor of %%% Engineering Physics at the University of %%% Manchester. In 1946, he returned to the %%% University of Cambridge as the Plummer %%% Professor of Mathematical Physics, succeeding %%% his graduate advisor, Ralph H. Fowler. In %%% 1948, for several months, he was Acting %%% Director of the Numerical Analysis Institute, %%% National Bureau of Standards, UCLA, in Los %%% Angeles, California. Hartree held his %%% position at Cambridge until his death on 12 %%% February 1958, at the age of just 61. See %%% entries Hartree:1958:NTP and %%% SwirlesJeffreys:1987:DRH for reports of his %%% death. %%% %%% Some quotes from Darwin's memoir about %%% Hartree give a flavor of the significance of %%% Hartree's work: %%% %%% [p. 104] In the work he undertook his %%% unselfishness was outstanding in the %%% sense that he was always ready to help %%% people with their problems, even at the %%% expense of his own work. Actually this %%% was perhaps a good thing, because there %%% were a number of other people attacking %%% the same kinds of problem in atomic %%% physics as he was, so that the work would %%% have been done anyhow, whereas there was %%% no one in the world with the same gift %%% for putting into shape any problem that %%% was susceptible to numerical analysis. %%% %%% [p. 104] He played the piano, but his %%% main activity in music was in an %%% orchestra where he played the drums, and %%% sometimes acted as conductor. [Page 526 %%% of entry Simoes:2000:QCG reports that %%% Hartree also founded the Faculty of Music %%% at Manchester University, and was its %%% first Dean]. %%% %%% [p. 105] He considered later that the %%% most important event in his scientific %%% career was a visit to Cambridge paid by %%% Niels Bohr in 1921, who gave a course of %%% lectures on the [old] quantum theory. %%% %%% [p. 106] He also did work on various %%% details of the Bohr atom model in the %%% course of which he estimated the %%% corrections that might be expected for %%% various atomic energy levels on account %%% of the inner shells of electrons. All %%% this work was the germ that later %%% flowered into one of his major %%% contributions to physics, that of the %%% self-consistent Field. %%% %%% [p. 107] Working in this manner he %%% attacked problems very much more advanced %%% than others had attempted. For example, %%% sometimes working in conjunction with his %%% father, he solved the problem for such %%% elements as copper and even mercury. All %%% this work was being done with pencil and %%% paper, but the situation was changed %%% about this time, when Vannevar Bush %%% developed his differential analyzer in %%% America. This immediately excited %%% Hartree's interest. %%% %%% [p. 107] Hartree saw that this machine %%% would much lighten the very heavy %%% numerical work of his computations on %%% self-consistent fields. He therefore made %%% a journey to Boston to see the machine %%% work, and on returning home he set up one %%% for himself, the first model being made %%% in 1934 of Meccano [a well-known British %%% toy modeling system, similar to the %%% American Erector sets] parts [see entry %%% Hartree:1938:MID]. Starting from this, %%% with the help of A. [Arthur] Porter, he %%% obtained a number of results and later, %%% again with his help and aided by a %%% generous gift of 6000 pounds from Sir %%% Robert McDougall, in 1935 he had a much %%% larger machine made. This was later %%% copied in other places, but for long it %%% was much the largest, best and certainly %%% most used differential analyzer outside %%% America. %%% %%% [p. 109] The differential analyzer had %%% scarcely become a well-established %%% instrument when signs began to appear %%% that it would be replaced by an even more %%% powerful instrument, the electronic %%% digital computer, and in the development %%% of this Hartree again played an important %%% part. The first such instrument, the %%% ENIAC, was set up in America for the %%% special purpose of calculating the %%% trajectories of projectiles. Its %%% potentialities had not been much %%% developed by the end of the war, and one %%% of the first acts of the designers was to %%% send for Hartree so as to get him to %%% advise them in its use. %%% %%% [p. 111] In his inaugural address as %%% Plummer Professor in Cambridge in 1946 he %%% said: `It may well be that the high-speed %%% digital computor [sic] will have as great %%% an influence on civilization as the %%% advent of nuclear power.' %%% %%% [p. 111] One of the most important %%% contributions made to mathematics by %%% Hartree has been his books, and in %%% particular the book entitled Numerical %%% Analysis which first came out in 1952; %%% the second edition, amended in a few %%% ways, only actually appeared after his %%% death. Numerical analysis may be an %%% austere subject, but he succeeded in %%% producing a real work of art on it. %%% %%% [p. 111] Anyone intending to undertake a %%% serious piece of calculation should %%% realize that adequate checking against %%% mistakes is an essential part of any %%% satisfactory numerical process. No one, %%% and no machine, is infallible, and it may %%% fairly be said that the ideal to aim at %%% is not to avoid mistakes entirely, but to %%% find all mistakes that are made, and so %%% free the work from any unidentified %%% mistakes. %%% %%% [p. 111] There are also a number of other %%% examples where his practical experience %%% contradicts the results given in most %%% books. Thus he indicates that even the %%% common formula for the solution of an %%% ordinary quadratic equation with one %%% unknown, as given in elementary books on %%% algebra, is often nearly useless, in %%% particular when the two roots are far %%% apart. %%% %%% [pp. 111--112] ... in dealing with the %%% solution of linear simultaneous equations %%% with many unknowns he says that there %%% are many different ways appropriate in %%% various cases, but `though there may be %%% no one best way of evaluating the %%% solution, it can be said with some %%% certainty that the direct evaluation of %%% the determinants and of the expression %%% for the solution in terms of them is %%% never the best way ...' although in fact %%% this is given as the complete answer in %%% many books on algebra. %%% %%% [p. 112] The older mathematicians who had %%% to do numerical work would certainly have %%% regarded logarithms as the key to such %%% work, but logarithms have now gone so %%% much out of use that, apart from %%% occasional references to the slide-rule, %%% they are never mentioned in the text, and %%% in the index of this work there is not to %%% be found any entry under the word %%% `logarithm'. %%% %%% The development of modern quantum theory, %%% primarily during the years 1900--1930, in %%% physics soon led to the need for %%% computational solutions of quantum equations, %%% and Douglas Hartree's strong background in %%% applied mathematics and use of mechanical %%% calculators made him eminently suited to %%% developing suitable algorithms for their %%% solution. %%% %%% One of his first approaches expressed the %%% quantum wavefunction as a product of %%% one-particle functions, and he showed how to %%% reduce a complicated N-particle problem to a %%% set of coupled differential equations, one %%% for each particle, each of which could be %%% solved in turn from a suitable starting %%% guess, and the process iterated until %%% acceptable numerical convergence was reached: %%% a ``self-consistent field (SCF)''. That now %%% widely used term is often credited to Douglas %%% Hartree, but he learned of the idea from an %%% earlier visitor to the Bohr Institute, Robert %%% Bruce Lindsay (see entries Lindsay:1924:U). %%% %%% It is not clear whether Hartree and Lindsay %%% communicated in the 1920s via letter, or %%% whether the SCF idea had become common lore %%% at the Bohr Institute: their visits to %%% Copenhagen were six years apart. See entry %%% Martinez:2016:HFM for a discussion. %%% %%% Lindsay's autobiography (entries %%% Lindsay:1985:IARa and Lindsay:1985:IARb) %%% suggests that Lindsay himself made little use %%% of the idea, and that it was Douglas Hartree %%% who made significant use of the SCF method, %%% despite the enormous tedium of doing this %%% with mechanical calculators. Lindsay and %%% Hartree had substantial letter correspondence %%% in the 1930s, and were able to meet in person %%% in Manchester in May 1937. %%% %%% The technique of a product of one-particle %%% functions, and iterated solutions of %%% one-particle wavefunction, is referred to as %%% ``Hartree's method'' in the chemistry and %%% physics literature of the time. %%% %%% However, it was soon realized that a simple %%% product of one-particle functions failed to %%% guarantee a critical symmetry property of the %%% N-particle wavefunction: it must be symmetric %%% for particles of integer spin (known as %%% bosons), and antisymmetric for particles of %%% half-integer spin (known as fermions). %%% Without that symmetry, it is not possible to %%% guarantee computational bounds on the %%% solution of the wave equation. %%% %%% The simplest way to supply that symmetry is %%% to replace the product by a special form of a %%% matrix: a permanent for bosons (particles of %%% integral spin: 0, 1, 2, ...), and a %%% determinant for fermions (particles of %%% half-integral spin: 1/2, 3/2, 5/2, ...). The %%% latter are the most important for the study %%% of atoms, molecules, and solids. The need to %%% enforce this symmetry relation was %%% independently discovered four times in 1929: %%% %%% Entry Waller:1929:ITS %%% %%% Ivar Waller (11 June 1898--12 April %%% 1991) %%% Uppsala, Sweden %%% %%% Douglas Rayner Hartree (27 March %%% 1897--12 February 1958) %%% Manchester, UK %%% %%% Joint work by Waller and Hartree done %%% at the Niels Bohr Institute in %%% Copenhagen, Denmark %%% %%% Received 29 January 1929, published %%% May 1929. %%% %%% Entry Dirac:1929:QMM %%% %%% Paul Adrien Maurice Dirac %%% (8 August 1902--20 October 1984) %%% Cambridge, UK %%% %%% Received 12 March 1929, published 6 %%% April 1929. %%% %%% Entry Slater:1929:TCS %%% %%% John Clarke Slater (22 December %%% 1900--25 July 1976) %%% Harvard University, Cambridge, MA, %%% USA %%% %%% Received 7 June 1929, published 15 %%% November 1929. %%% %%% Entry Fock:1930:NLQ %%% %%% Vladimir Aleksandrovich Fock %%% (22 December 1898--27 December %%% 1974) %%% Leningrad, USSR %%% %%% Presented at the Russian %%% Physico-Chemical Society in Leningrad %%% (1924--1991) [Petrograd (1914--1924), %%% Saint Petersburg before 1914, and %%% since 1991] on 17 December 1929 %%% %%% Received 21 February 1930, published %%% January 1920. %%% %%% Another paper that contributed to the %%% understanding and computational justification %%% of Hartree's method was by the English %%% physicist John Arthur Gaunt (1904--1944) [see %%% entries Gaunt:1928:THA and Califano:2012:PMC %%% (page 181)], who, like Hartree, worked in %%% Fowler's research group. Gaunt did not %%% mention determinants, but he discussed %%% symmetry requirements, and used first- and %%% second-order perturbations to analyze %%% solutions of the wave equation. His paper %%% was read before the Cambridge Philosophical %%% Society on 27 February 1928, 11 months before %%% the Waller--Hartree paper, and was submitted %%% two months after Hartree's trilogy (see %%% entries Hartree:1928:WMA{a,b,c}) was %%% presented at the Cambridge Philosophical %%% Society in November 1927. %%% %%% Pages 192--193 of entry %%% SwirlesJeffreys:1987:DRH report that both %%% Fock in Leningrad, and Gaunt in Hong Kong, %%% worked on gunnery table computations during %%% World War II, as the Hartrees had done during %%% World War I. Gaunt died in prisoner-of-war %%% camp Shumshuipo in Hong Kong in January 1944. %%% %%% The Gaunt coefficients, integrals of products %%% of Legendre functions or spherical harmonics, %%% are named after him: see entry %%% Gaunt:1929:ITH. %%% %%% Dirac discussed particle permutations, but %%% did not use determinants, nor did he %%% reference the Waller/Hartree paper. %%% %%% Slater referred to the Dirac and %%% Waller/Hartree papers, but simplified their %%% work, and also introduced the spin property %%% into the computation. According to page 192 %%% of entry SwirlesJeffreys:1987:DRH, Slater %%% visited Hartree in early 1930 [in %%% Manchester], and several sources suggest that %%% they maintained extensive correspondence for %%% many years. %%% %%% Fock mentioned the Waller/Hartree work, but %%% without a literature citation. He did not %%% cite the Dirac and Slater work. See entry %%% Martinez:2018:VFI for a dissertation on %%% Fock's work. %%% %%% Slater determinants, as they are now widely %%% known, are the building blocks for %%% representing wavefunctions, and the %%% computational algorithm that uses just a %%% single determinant is called the %%% ``Hartree--Fock method'', giving credit also %%% to Fock. Some authors since then also honor %%% Slater, using the name %%% ``Hartree--Fock--Slater method''. %%% %%% The first published mention of the phrase %%% ``Hartree--Fock method'' is believed to be %%% due to Igor Tamm and D. Blochinzev (entry %%% Tamm:1932:AEM): see page 6 of entry %%% Martinez:2016:HFM. However, page 84 of entry %%% Martinez:2018:VFI reports that the term did %%% not become widespread until the 1950s. %%% %%% The qualifiers ``Hartree--Fock--Dirac'' and %%% ``Dirac--Fock'' are also encountered, but %%% generally refer to inclusion of relativistic %%% effects, as introduced by Dirac in 1928. %%% %%% The building blocks of single-particle %%% functions are often called ``Slater-type %%% orbitals'' (STOs), implying use of %%% exponentials of scaled radial distances. %%% That choice is inspired by the exact %%% solutions of the quantum mechanical wave %%% equation for the hydrogen atom, which have %%% the same exponential behavior. %%% %%% Later, in August 1949, Samuel Francis %%% (`Frank') Boys in Cambridge (see entries %%% Boys:1950:EWF and Coulson:1973:SFB) proposed %%% instead the use of exponentials with squared %%% distances, called ``Gaussian-type orbitals'' %%% (GTOs), because they enormously simplify the %%% computation of two-, three-, and four-center %%% integrals needed in molecular calculations, %%% despite their incorrect limiting behavior for %%% large distances. That representational error %%% is mitigated by the fact that the %%% contributions to total energies, and most %%% atomic and molecular properties, in that %%% region are tiny. %%% %%% Recently, in an effort to further simplify %%% the integral problem, B-spline %%% representations of one-particle functions %%% have been investigated for atomic %%% Hartree--Fock calculations: see entry %%% Waide:2020:BPS. %%% %%% Douglas Hartree was well aware of the %%% problem of numerical solutions of the %%% wave equation. On the first page of %%% entry Hartree:1947:CAS, he wrote: %%% %%% ``It has been said that the tabulation of %%% a function of one variable requires a %%% page, of two variables a volume, and of %%% three variables a library; but the full %%% specification of a single wave function %%% of neutral Fe [iron]is a function of %%% seventy-eight variables. It would be %%% rather crude to restrict to ten the %%% number of values of each variable at %%% which to tabulate this function, but even %%% so, full tabulation of it would require %%% $10^{78}$ entries, and even if this %%% number could be reduced somewhat from %%% considerations of symmetry, there would %%% still not be enough atoms in the whole %%% solar system to provide the material for %%% printing such a table.'' %%% %%% In that paper, Hartree goes onto discuss %%% wavefunctions antisymmetry via Slater %%% determinants, problems of integral %%% computations, configuration interaction (CI), %%% polarization, relativistic effects, %%% two-particle functions, ionization, %%% excitation, stability of negative ions, %%% highly excited states, and continuum states. %%% That is a remarkably broad study that was %%% done before electronic computers began to %%% make such work feasible. %%% %%% In the 1930s and 1940s, Hartree was much %%% involved in the design and use of %%% differential analyzers for the numerical %%% solution of differential equations arising in %%% varies areas of engineering and science, and %%% wrote books about them (see entries %%% Hartree:1946:CMR, Hartree:1947:CMR, %%% Hartree:1949:CIM, Hartree:1949:DAM, %%% Hartree:1950:CIM, Hartree:1953:CIM, %%% Hartree:1957:CAS, Hartree:1984:CMRa, %%% Hartree:1984:CMRb, Hartree:2012:CIM). %%% %%% Page 141 of entry Gavroglou:2011:DRH suggests %%% that it was a letter from John C. Slater at %%% MIT to Hartree that drew first attention to %%% Vannevar Bush's machines (see entries %%% Bush:1931:DAN and Owens:1986:VBD), and led to %%% Hartree's visit in 1933 to MIT. Hartree had %%% written to Slater to express his pleasure %%% with Slater's papers on exchange forces, %%% determinantal wavefunctions, and the %%% self-consistent field method (entries %%% Slater:1929:TCS and Slater:1930:NHM). As %%% quoted earlier, on return to Manchester, in %%% 1934, Hartree built a model differential %%% analyzer with Meccano parts, and in 1935, a %%% full-scale one, that was later doubled in %%% size, and used in World War II research. %%% Hartree's successes inspired the construction %%% in Britain of three more differential %%% analyzers by 1940, at the University of %%% Cambridge [by John Edward Lennard-Jones], %%% Queen's University in Belfast, Northern %%% Ireland [by H. S. W. Massey and others: see %%% entry Massey:1938:SSD] and the Royal Aircraft %%% Establishment in Farnborough (about 50km %%% southwest of London). A 12-integrator %%% differential analyzer as built in Oslo, %%% Norway in 1938 [see entries %%% Rosseland:1937:ODN and Holst:1996:SRO], and %%% was the world's largest until about 1942. %%% Several more machines were built in Canada, %%% Japan, and United States up to about 1951, %%% when interest in early general-purpose %%% digital computers began to grow, and interest %%% in specialized analog devices waned. %%% %%% The famous trilogy by Per-Olov Lowdin %%% (entries Lowdin:1955:QTM{a,b,c}) laid the %%% groundwork for extensions and generalizations %%% of the single-determinant Hartree--Fock %%% methods. Expansions of the wavefunction as %%% sums of determinants with numerically %%% optimized coefficients lead to a method %%% that Hartree and Swirles (entry %%% Hartree:1937:ECI) called ``configuration %%% interaction (CI)''. Importantly, it can be %%% shown that this expansion, in exact %%% arithmetic, provides rigorous upper bounds to %%% the energy eigenvalues of the wave equations, %%% and that the bounds are always improved by %%% the addition of more terms in the sum. This %%% important result is known as the %%% ``Rayleigh--Ritz variational principle''. %%% %%% A variant of CI, called ``multiconfiguration %%% Hartree--Fock (MCHF)'' optimizes both the %%% one-particle functions and the expansion %%% coefficients, although usually with a much %%% shorter CI expansion. See entries %%% Hibbert:2019:CFF and FroeseFischer:1997:CAS %%% for an overview. %%% %%% Many computational methods derived since the %%% work of Hartree and Lowdin attempt to %%% minimize the CI term count by optimization of %%% the one-particle functions (orbitals), and by %%% summation to infinity of certain terms via %%% rewriting similar to that found in the %%% mathematical expansion of the reciprocal %%% %%% 1 / (1 - x) = 1 + x + x**2 + x**3 + ... %%% %%% Such rewritings are often handled by the %%% famous Feynman diagrams that help scientists %%% identify, and visualize, the most important %%% terms in the sum of a potentially infinite %%% number of terms. %%% %%% Most subsequent numerical solutions of the %%% quantum wave equation are based on models %%% that use one or more Slater determinants. To %%% provide further simplifications, scientists %%% may replace the complicated one- and %%% two-particle integrals of products of %%% one-particle functions, and associated %%% operators, with simpler models that %%% approximate the difficult integrals by %%% numerical parameters whose values are %%% adjusted to match solutions expected for %%% certain atoms, molecules, or solids, and then %%% used to predict solutions for related %%% systems. These techniques are often termed %%% ``semi-empirical methods'', in comparison to %%% ``ab initio methods'' that use accurate %%% computations of integrals, and multiple %%% determinants in wavefunction expansions. %%% %%% Thus, much numerical work towards solving the %%% wave equations in quantum chemistry and %%% quantum physics in the 20th Century has been %%% rooted in the Hartree--Fock method, and that %%% name consequently appears in a large number %%% of titles of scientific articles in those %%% fields. %%% %%% To give a flavor of the impact of Hartree's %%% work, a title search for ``Hartree--Fock'' in %%% mid-2023 in just the journal Physical Review %%% found more than 21,000 such titles. The %%% journal Molecular Physics has more than %%% 5,400, and the Journal of Chemical Physics %%% has more than 800. The Elsevier %%% ScienceDirect journal database reports more %%% than 53,400. The European Mathematical %%% Society ZBmath database records 330 such, and %%% the American Mathematical Society MathSciNet %%% database, 375. The WorldCat catalog, with %%% contributions from many libraries around the %%% world, reports more than 17,000. Those title %%% search results are dwarfed by mentions of the %%% phrase Hartree--Fock: the Microsoft Bing %%% full-text Web search engine reports about %%% 279,000 hits, and the Google search engine, %%% about 5,770,000 hits. %%% %%% As examples of later extensions of %%% Hartree--Fock methods, see entries %%% Coulson:1949:XNM, Grant:1961:RSC, %%% Desclaux:1973:RDF, Grant:1979:RAS, %%% Pyykko:1988:RES Wilson:1988:MCC, %%% Davidson:1991:GSC, Chakravorty:1993:GSC, %%% Dyall:2007:IRQ, Barysz:2010:RMC, %%% Kaldor:2003:TCP, Reiher:2005:RQC, %%% Reiher:2015:RQC, and Roos:2016:MQC. Several %%% of those have comparisons against %%% computations that include relativistic %%% effects. %%% %%% The memoir in entry Luthi:2017:TJE describes %%% the work of a Swedish researcher, Jan Erik %%% Almlof, who pushed Hartree--Fock computations %%% on large molecules to the limits of their %%% accuracy. %%% %%% Part 3 of this bibliography supplies more %%% than 40 entries for the problem of finding a %%% few extremal eigenvalues and eigenvectors of %%% the large matrices that arise in CI %%% calculations. %%% %%% Apart from his important contributions to %%% quantum computations, Hartree was a leader in %%% Britain in the introduction of numerical %%% methods to many other areas of science and %%% engineering, and was one of the pioneers in %%% the use and promotion of early (analog and %%% digital) mechanical and electronic computers. %%% Hartree's influence on computing, and on the %%% British computing industry, is vast. %%% %%% All of the 114 Hartree publications listed in %%% the bibliography of the Darwin memoir are %%% included in this bibliography. That list is %%% incomplete, because at version 1.05, there %%% are 182 entries in Part 1 and the cross %%% reference section of this bibliography. The %%% Darwin citations are brief, and fail to %%% identify the correct name order in %%% multiauthor publications. The 2003 Froese %%% Fischer biography of Hartree lists 6 books %%% and 113 articles: all of them have been %%% checked against the coverage in this file. %%% Considerable effort has been exerted to %%% supply more complete metadata, including page %%% ranges, Digital Object Identifier (DOI) and %%% Uniform Resource Locator (URL) values, and to %%% provide correct author lists. At version %%% 1.05, in Part 1 of this file, 91 of the 170 %%% entries now have DOI values, and 109 have URL %%% values. %%% %%% Douglas Hartree worked on government projects %%% in World Wars I and II, and although it is %%% likely that there were reports written by him %%% about that work, there is little record from %%% those ten years, likely due to government and %%% military secrecy restrictions. There are 13 %%% article entries from 1939--1945, all from %%% normal engineering and scientific journals, %%% but none at all from 1914--1918, and only two %%% before 1920, from his public school journals %%% in 1912 and 1913. Subsequent searches of the %%% UK National Archives identified five %%% technical reports by Hartree during World War %%% II in the years 1941--1943: entries for them %%% were added at version 1.04 of this file. %%% %%% Besides the cited memoir by Darwin, see %%% entries Medwick:1988:DHE and Bowles:1996:UTE, %%% the Hartree biography (entry %%% FroeseFischer:2003:DRH), and the treatise on %%% the Hartree--Fock method (entry %%% FroeseFischer:1977:HFM), the latter two %%% written by his doctoral student, Charlotte %%% Froese (later, after her marriage to %%% theoretical computer scientist Patrick C. %%% Fischer, Charlotte Froese Fischer), herself a %%% well-known Canadian quantum chemist. In her %%% biography of Hartree, she reports that she %%% did not know him well, because he was absent %%% from Cambridge during most of her studies. %%% However, in writing the book, she was able to %%% collect a large amount of material about %%% Hartree from his surviving family members, %%% and from former students, including several %%% photographs of Hartree, who seems to have %%% evaded the historical camera for most of his %%% life. %%% %%% The first English language book with the %%% title ``Numerical Analysis'' is Hartree's %%% (see entry Hartree:1952:NA). %%% %%% There are biographical memoirs of more than %%% 20 scientists in Britain (especially those %%% who worked in Cambridge or Manchester) who %%% might have been expected to have connections %%% to Douglas Hartree, but where the memoirs %%% [authors in brackets] make little or no %%% mention of him: %%% %%% Hans Albrecht Bethe (1906--2005) %%% [Sabine Lee and Gerry E. Brown] %%% https://doi.org/10.1098/rsbm.2007.0018 %%% [4 brief mentions of Hartree on p. 14 %%% only] %%% %%% Samuel Francis Boys (1911--1972) %%% [Charles Alfred Coulson] %%% https://doi.org/10.1098/rsbm.1973.0004 %%% %%% Charles Galton Darwin (1887--1962) %%% [George Piaget Thomson] %%% https://doi.org/10.1098/rsbm.1963.0004 %%% [citation of Hartree memoir, %%% Darwin:1958:DRH, only] %%% %%% Paul Adrien Maurice Dirac (1902--1984) %%% [Richard Henry Dalitz and Sir Rudolf %%% Ernst Peierls] %%% https://doi.org/10.1098/rsbm.1986.0006 %%% [1 mention of Hartree--Fock on p. 168 %%% only] %%% %%% Sir Arthur Stanley Eddington (1882--1944) %%% [Henry Crozier Keating Plummer] %%% https://doi.org/10.1098/rsbm.1945.0007 %%% https://www.jstor.org/stable/76911 %%% %%% Paul Peter Ewald (1888--1985) %%% [Hans Albrecht Bethe and G. Hildebrandt] %%% https://doi.org/10.1098/rsbm.1988.0006 %%% %%% Otto Robert Frisch (1904--1979) %%% [Sir Rudolf Peierls] %%% https://doi.org/10.2307/769874 %%% %%% Erich Hueckel (1896--1980) %%% [H. Hartmann and Hugh Christopher %%% Longuet-Higgins] %%% https://doi.org/10.1098/rsbm.1982.0008 %%% %%% Walter Kohn (1923--2016) %%% [Pierre C. Hohenberg and James S. Langer] %%% https://doi.org/10.1098/rsbm.2017.0040 %%% [2 mentions of Hartree--Fock on p. 256 %%% only] %%% %%% Max von Laue (1879--1960) %%% [Paul Peter Ewald] %%% https://doi.org/10.1098/rsbm.1960.0028 %%% %%% Sir John Edward Lennard-Jones %%% (1894--1954) %%% [Nevill Francis Mott] %%% https://doi.org/10.1098/rsbm.1955.0013 %%% %%% Hugh Christopher Longuet-Higgins %%% (1923--2004) %%% [Richard L. Gregory and John N. Murrell] %%% https://doi.org/10.1098/rsbm.2006.0012 %%% %%% Lise Meitner (1878--1968) %%% [Otto Robert Frisch] %%% https://doi.org/10.1098/rsbm.1970.0016 %%% %%% Robert Sanderson Mulliken (1896--1986) %%% [Hugh Christopher Longuet-Higgins] %%% https://doi.org/10.1098/rsbm.1990.0015 %%% %%% J. Robert Oppenheimer %%% [Hans Albrecht Bethe] %%% https://doi.org/10.1098/rsbm.1968.0016 %%% %%% Sir Rudolf Ernst Peierls (1907--1995) %%% [Sabine Lee] %%% https://doi.org/10.1098/rsbm.2007.0003 %%% %%% Sir John Anthony Pople (1925--2004) %%% [A. D. Buckingham] %%% https://doi.org/10.1098/rsbm.2006.0021 %%% [12 mentions of Hartree--Fock, but none %%% about Hartree himself] %%% %%% Lord Ernest Rutherford (1871--1937) %%% [A. S. (Arthur Stewart) Eve and James %%% Chadwick] %%% https://doi.org/10.1098/rsbm.1938.0025 %%% %%% Edwin Ernest Salpeter (1924--2008) %%% [Yervant Terzian] %%% https://doi.org/10.1098/rsbm.2010.0005 %%% https://www.jstor.org/stable/41413915 %%% %%% Erwin Schrodinger (1887--1961) %%% [Walter Heinrich Heitler] %%% https://doi.org/10.1098/rsbm.1961.0017 %%% %%% Alan Mathison Turing (1912--1954) %%% [M. H. A. (Maxwell Herman Alexander) %%% Newman] %%% https://doi.org/10.1098/rsbm.1955.0019 %%% %%% Eugene Paul Wigner (1902--1995) %%% [Frederick Seitz, Erich Vogt, and Alvin %%% M. Weinberg] %%% https://doi.org/10.1098/rsbm.1999.0102 %%% %%% James Hardy Wilkinson (1919--1986) %%% [Leslie Fox] %%% https://doi.org/10.1098/rsbm.1987.0024 %%% %%% A common energy unit in quantum mechanical %%% calculations is the Hartree (symbol: E_h or %%% Ha) whose recommended 2018 CODATA value is %%% %%% 1 Hartree = 4.3597447222071(85) * 10**(-18) Joule %%% = 27.211386245988(53) electron volt %%% = 2 Rydbergs %%% %%% It is approximately the potential energy of %%% the hydrogen atom, and twice the hydrogen %%% atom ionization energy. %%% %%% There are Web sites related to Douglas %%% Hartree at %%% %%% https://en.wikipedia.org/wiki/Charlotte_Froese_Fischer %%% https://physics.nist.gov/cgi-bin/cuu/Value?hr %%% https://physics.nist.gov/cgi-bin/cuu/Value?hrev %%% https://en.wikipedia.org/wiki/Hartree %%% https://en.wikipedia.org/wiki/Douglas_Hartree %%% https://en.wikipedia.org/wiki/John_C._Slater %%% https://en.wikipedia.org/wiki/Vladimir_Fock %%% https://mathshistory.st-andrews.ac.uk/Biographies/Hartree/ %%% %%% The Mathematics Genealogy Project Web site at %%% %%% https://www.genealogy.math.ndsu.nodak.edu/id.php?id=60187 %%% %%% lists 11 master's and doctoral students, and %%% 227 academic descendants, of Douglas Hartree, %%% ordered here by degree year: %%% %%% Victoria University of Manchester: %%% %%% Porter, Arthur 1936 %%% Crank, John 1938 (MSc; DSc 1953) %%% Buneman, Oscar 1940 %%% Nicolson, Phyllis 1946 %%% %%% University of Cambridge: %%% %%% Dingle, Robert 1952 %%% Klug, Aaron 1953 %%% Leigh, Donald 1954 %%% Ridley, E. 1956 %%% Froese, Charlotte 1957 %%% Mayers, David 1959 %%% Lomax, Ronald 1960 %%% %%% Besides those eleven, four others deserve %%% note here: %%% %%% (1) Robert Bruce Lindsay (Ph.D., MIT, %%% Cambridge, MA, USA, 1924). Lindsay %%% and Hartree both deserve credit for %%% the idea of a ``self-consistent field %%% (SCF)'', and may have communicated %%% before Hartree's 1928 visit to %%% Copenhagen. %%% %%% (2) Bertha Swirles (Ph.D., Victoria %%% University of Manchester, UK, 1928) %%% (later Lady Bertha Swirles Jeffreys) %%% worked closely with Douglas Hartree, %%% but was advised by Ralph Howard %%% Fowler (1889--1944). %%% %%% (3) Arthur Olney Williams, Jr., (Ph.D., %%% Brown University, Providence, RI, %%% USA, 1937) based his thesis work on %%% that of Hartree and Swirles, but was %%% advised by Robert Bruce Lindsay %%% (1900--1985). %%% %%% (4) Jean-Philippe Martinez (Ph.D., %%% Universit{\'e} Sorbonne Paris %%% Cit{\'e}, Paris, France, 2018) wrote %%% a detailed study of Vladimir Fock %%% (1898--1974). %%% %%% There are MastersThesis{...} or %%% PhdThesis{...} entries for each of them in %%% this file. Two of them were later %%% distinguished and enobled: Sir Aaron Klug %%% (Nobel Prize in Chemistry 1982, knighted in %%% 1998), and Lady Bertha Swirles Jeffreys %%% (enobled, with her husband, Harold Jeffreys, %%% in 1953). The pair Crank--Nicolson are well %%% known for solutions of partial differential %%% equation. Mayers later wrote several %%% textbooks on numerical analysis. Buneman %%% instability and Buneman potential are common %%% terms in the literature on electrodynamics %%% and magnetohydrodynamics. Froese Fischer %%% became a well-known quantum chemist. Bertha %%% Swirles did some of the first inclusions of %%% relativistic effects in the solution of the %%% Schroedinger wave equation, later with her %%% husband, co-wrote textbooks in mathematical %%% physics, and was associated with Girton %%% College, Cambridge, as a student and Fellow %%% for over 70 years. %%% %%% Related bibliographies in the BibNet Project %%% include %%% %%% babbage-charles.bib %%% harris-frank-e.bib %%% lovelace-ada-augusta.bib %%% lowdin-per-olov.bib %%% rutherford-ernest.bib %%% schroedinger-erwin.bib %%% slater-john-clarke.bib %%% turing-alan-mathison.bib %%% %%% and in the TeX User Group bibliography %%% archive %%% %%% advquantumchem.bib %%% annhistcomput.bib %%% ieeeannhistcomput.bib %%% %%% At version 1.23, the year coverage looked %%% like this: %%% %%% 1912 ( 1) 1950 ( 10) 1988 ( 6) %%% 1913 ( 1) 1951 ( 13) 1989 ( 4) %%% 1914 ( 0) 1952 ( 13) 1990 ( 6) %%% 1915 ( 0) 1953 ( 12) 1991 ( 1) %%% 1916 ( 0) 1954 ( 6) 1992 ( 3) %%% 1917 ( 0) 1955 ( 11) 1993 ( 8) %%% 1918 ( 0) 1956 ( 4) 1994 ( 10) %%% 1919 ( 0) 1957 ( 13) 1995 ( 0) %%% 1920 ( 3) 1958 ( 15) 1996 ( 4) %%% 1921 ( 0) 1959 ( 5) 1997 ( 2) %%% 1922 ( 0) 1960 ( 4) 1998 ( 3) %%% 1923 ( 4) 1961 ( 1) 1999 ( 2) %%% 1924 ( 6) 1962 ( 4) 2000 ( 4) %%% 1925 ( 5) 1963 ( 7) 2001 ( 6) %%% 1926 ( 5) 1964 ( 1) 2002 ( 3) %%% 1927 ( 3) 1965 ( 2) 2003 ( 4) %%% 1928 ( 7) 1966 ( 2) 2004 ( 0) %%% 1929 ( 9) 1967 ( 1) 2005 ( 2) %%% 1930 ( 3) 1968 ( 0) 2006 ( 2) %%% 1931 ( 7) 1969 ( 0) 2007 ( 1) %%% 1932 ( 3) 1970 ( 1) 2008 ( 2) %%% 1933 ( 6) 1971 ( 0) 2009 ( 0) %%% 1934 ( 4) 1972 ( 1) 2010 ( 3) %%% 1935 ( 13) 1973 ( 3) 2011 ( 7) %%% 1936 ( 13) 1974 ( 6) 2012 ( 3) %%% 1937 ( 13) 1975 ( 2) 2013 ( 3) %%% 1938 ( 11) 1976 ( 0) 2014 ( 2) %%% 1939 ( 11) 1977 ( 1) 2015 ( 1) %%% 1940 ( 6) 1978 ( 7) 2016 ( 6) %%% 1941 ( 4) 1979 ( 2) 2017 ( 3) %%% 1942 ( 2) 1980 ( 3) 2018 ( 2) %%% 1943 ( 3) 1981 ( 1) 2019 ( 1) %%% 1944 ( 2) 1982 ( 2) 2020 ( 3) %%% 1945 ( 3) 1983 ( 1) 2021 ( 4) %%% 1946 ( 8) 1984 ( 3) 2022 ( 2) %%% 1947 ( 14) 1985 ( 8) 2023 ( 2) %%% 1948 ( 12) 1986 ( 4) %%% 1949 ( 16) 1987 ( 1) %%% 19xx ( 18) %%% %%% Article: 352 %%% Book: 58 %%% InCollection: 10 %%% InProceedings: 17 %%% MastersThesis: 2 %%% Misc: 32 %%% PhdThesis: 17 %%% Proceedings: 3 %%% TechReport: 8 %%% Unpublished: 2 %%% %%% Total entries: 501 %%% %%% Data for this bibliography have been %%% collected from numerous databases in %%% engineering, mathematics, and science, and %%% from entries in the combined BibNet Project %%% and TeX User Group bibliography archives. %%% %%% Numerous errors in the sources noted above %%% have been corrected. Spelling has been %%% verified with the UNIX spell and GNU ispell %%% programs using the exception dictionary %%% stored in the companion file with extension %%% .sok. %%% %%% BibTeX citation tags are uniformly chosen as %%% name:year:abbrev, where name is the family %%% name of the first author or editor, year is a %%% 4-digit number, and abbrev is a 3-letter %%% condensation of important title %%% words. Citation tags were automatically %%% generated by software developed for the %%% BibNet Project. %%% %%% Within each of its three parts, this %%% bibliography is sorted by year, and within %%% each year, by author and title key, using %%% ``bibsort -byyear''. Cross-referenced %%% proceedings entries appear at the end, %%% because of a restriction in the current %%% BibTeX. %%% %%% The checksum field above contains a CRC-16 %%% checksum as the first value, followed by the %%% equivalent of the standard UNIX wc (word %%% count) utility output of lines, words, and %%% characters. This is produced by Robert %%% Solovay's checksum utility.", %%% } %%% ====================================================================

@Preamble{ "\ifx \undefined \booktitle \def \booktitle#1{{{\em #1}}} \fi" # "\ifx \undefined \pkg \def \pkg #1{{{\tt #1}}} \fi" }

%%% ==================================================================== %%% Acknowledgement abbreviations:

@String{ack-nhfb= "Nelson H. F. Beebe, University of Utah, Department of Mathematics, 110 LCB, 155 S 1400 E RM 233, Salt Lake City, UT 84112-0090, USA, Tel: +1 801 581 5254, FAX: +1 801 581 4148, e-mail: \path|beebe@math.utah.edu|, \path|beebe@acm.org|, \path|beebe@computer.org| (Internet), URL: \path|https://www.math.utah.edu/~beebe/|"}

%%% ==================================================================== %%% Journal abbreviations:

@String{j-ACTA-PHYS-ACAD-SCI-HUNG= "Acta physica Academiae Scientiarum Hungaricae"} @String{j-ADV-QUANTUM-CHEM= "Advances in Quantum Chemistry"} @String{j-ALMAGEST= "Almagest: International Journal for the History of Scientific Ideas"} @String{j-AM-SCI= "American Scientist"} @String{j-AMER-J-PHYSICS= "American Journal of Physics"} @String{j-AMER-MATH-MONTHLY= "American Mathematical Monthly"} @String{j-ANN-ACAD-REGIAE-SCI-UPS= "Annales Academiae regiae scientiarum upsaliensis"} @String{j-ANN-HIST-COMPUT= "Annals of the History of Computing"} @String{j-ANN-PHYS-1900= "Annalen der Physik (1900)"} @String{j-APPL-SCI-RES= "Applied Science Research"} @String{j-APPL-SCI-RES-SECT-B= "Applied Scientific Research, Section B"} @String{j-ARCH-HIST-EXACT-SCI= "Archive for History of Exact Sciences"} @String{j-AT-DATA-NUCL-DATA-TABLES= "Atomic Data and Nuclear Data Tables"} @String{j-ATOMS= "Atoms"} @String{j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC= "Biographical Memoirs of Fellows of the Royal Society"} @String{j-BIT-NUM-MATH= "BIT Numerical Mathematics"} @String{j-BULL-AMS= "Bulletin of the American Mathematical Society"} @String{j-CHEM-PHYS-LETT= "Chemical Physics Letters"} @String{j-CHEM-REV= "Chemical Reviews"} @String{j-COMMENTS-AT-MOL-PHYS= "Comments on Atomic and Molecular Physics"} @String{j-COMP-PHYS-COMM= "Computer Physics Communications"} @String{j-COMPUT-PHYS= "Computers in Physics"} @String{j-CURR-SCI= "Current Science"} @String{j-ECONOMETRICA= "Econometrica"} @String{j-ENDEAVOUR= "Endeavour"} @String{j-HIST-MATH= "Historia Mathematica"} @String{j-HIST-STUD-NAT-SCI= "Historical Studies in the Natural Sciences"} @String{j-IEEE-ANN-HIST-COMPUT= "IEEE Annals of the History of Computing"} @String{j-IEEE-TRANS-PAR-DIST-SYS= "IEEE Transactions on Parallel and Distributed Systems"} @String{j-IEEE-TRANS-PLASMA-SCI= "IEEE Transactions on Plasma Science"} @String{j-IJQC= "International Journal of Quantum Chemistry"} @String{j-IJSA= "The International Journal of Supercomputer Applications"} @String{j-ISIS= "Isis"} @String{j-J-CHEM-EDUC= "Journal of Chemical Education"} @String{j-J-CHEM-PHYS= "Journal of Chemical Physics"} @String{j-J-CHEM-THEORY-COMPUT= "Journal of Chemical Theory and Computation"} @String{j-J-COMPUT-APPL-MATH= "Journal of Computational and Applied Mathematics"} @String{j-J-COMPUT-CHEM= "Journal of Computational Chemistry"} @String{j-J-COMPUT-PHYS= "Journal of Computational Physics"} @String{j-J-FRANKLIN-INST= "Journal of {The Franklin Institute}"} @String{j-J-INST-ELECTR-ENG= "Journal of the Institution of Electrical Engineers"} @String{j-J-LOND-MATH-SOC= "Journal of the London Mathematical Society"} @String{j-J-MATH-PHYS-MIT= "Journal of Mathematics and Physics (MIT)"} @String{j-J-PHYS-A= "Journal of Physics A (Mathematical and General)"} @String{j-J-OPT-SOC-AM= "Journal of the Optical Society of America"} @String{j-J-R-STAT-SOC-SER-A-GENERAL= "Journal of the Royal Statistical Society. Series A (General)"} @String{j-J-RES-NATL-BUR-STAND-1934= "Journal of Research of the National Bureau of Standards (1934)"} @String{j-J-SCIENT-INSTR= "Journal of Scientific Instruments"} @String{j-J-SYMBOLIC-LOGIC= "Journal of Symbolic Logic"} @String{j-LINEAR-ALGEBRA-APPL= "Linear Algebra and its Applications"} @String{j-MATH-COMPUT= "Mathematics of Computation"} @String{j-MATH-GAZ= "Mathematical Gazette"} @String{j-MATH-PROC-CAMB-PHILOS-SOC= "Mathematical proceedings of the Cambridge Philosophical Society"} @String{j-MATH-TABLES-OTHER-AIDS-COMPUT= "Mathematical Tables and Other Aids to Computation"} @String{j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC= "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)"} @String{j-MOL-PHYS= "Molecular Physics"} @String{j-MOLECULES= "Molecules"} @String{j-MONTHLY-NOT-ROY-ASTRON-SOC= "Monthly Notices of the Royal Astronomical Society"} @String{j-NATURE= "Nature"} @String{j-NATURWISSENSCHAFTEN= "Naturwissenschaften"} @String{j-NORSK-MAT-TIDSSKR= "Norsk Matematisk Tidsskrift"} @String{j-NOTES-REC-R-SOC-LOND= "Notes and Records of the Royal Society of London"} @String{j-NUM-LIN-ALG-APPL= "Numerical Linear Algebra with Applications"} @String{j-NY-TIMES= "New York Times"} @String{j-OBIT-NOTICES-FELLOWS-ROY-SOC= "Obituary Notices of Fellows of the Royal Society"} @String{j-PHILOS-MAG= "Philosophical Magazine"} @String{j-PHILOS-TRANS-R-SOC-LOND-A-CONTAIN-PAP-MATH-PHYS-CHARACTER= "Philosophical Transactions of the Royal Society of London. Series A, Containing Papers of a Mathematical or Physical Character"} @String{j-PHILOS-TRANS-R-SOC-LOND-SER-A= "Philosophical Transactions of the Royal Society A: Mathematical, Physical, and Engineering Sciences"} @String{j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI= "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences"} @String{j-PHYS-BULL= "Physics Bulletin"} @String{j-PHYS-REV= "Physical Review"} @String{j-PHYS-REV-2= "Physical Review (2)"} @String{j-PHYS-REV-A= "Physical Review A (Atomic, Molecular, and Optical Physics)"} @String{j-PHYS-TODAY= "Physics Today"} @String{j-PHYSICA= "Physica"} @String{j-PHYSIKAL-Z= "Physikalische Zeitschrift"} @String{j-PROC-CAMBRIDGE-PHIL-SOC= "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences"} @String{j-PROC-IEEE= "Proceedings of the IEEE"} @String{j-PROC-R-IR-ACAD-SECT-A= "Proceedings of the Royal Irish Academy, Section A: Mathematical and Physical Sciences"} @String{j-PROC-PHYS-SOC= "Proceedings of the Physical Society, London"} @String{j-PROC-R-INST-G-B= "Proceedings of the Royal Institution of Great Britain"} @String{j-PROC-R-SOC-LOND-SER-A-MATH-PHYS= "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character"} @String{j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-ENG-SCI= "Proceedings of the Royal Society A: Mathematical, Physical, and Engineering Sciences"} @String{j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI= "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences"} @String{j-QUART-APPL-MATH= "Quarterly of Applied Mathematics"} @String{j-QUART-J-MECH-APPLIED-MATH= "Quarterly Journal of Mechanics and Applied Mathematics"} @String{j-REV-GEN-ELECTR= "Revue G{\`e}n{\`e}rale de l'{\'E}lectricit{\`e}"} @String{j-REP-PROG-PHYS= "Reports on Progress in Physics"} @String{j-REV-MOD-PHYS= "Reviews of Modern Physics"} @String{j-SANKHYA= "Sankhy{\=a} (Indian Journal of Statistics)"} @String{j-SCI-AMER= "Scientific American"} @String{j-SCI-PROG-RUSHDEN-UK= "Science Progress (1933--)"} @String{j-SCIENCE= "Science"} @String{j-SIAM-J-MAT-ANA-APPL= "SIAM Journal on Matrix Analysis and Applications"} @String{j-SIAM-J-SCI-COMP= "SIAM Journal on Scientific Computing"} @String{j-SIAM-J-SCI-STAT-COMP= "SIAM Journal on Scientific and Statistical Computing"} @String{j-SIAM-REVIEW= "SIAM Review"} @String{j-SOV-PHYS-USP= "Soviet Physics. Uspekhi"} @String{j-STUD-HIST-PHILOS-MOD-PHYS= "Studies in History and Philosophy of Modern Physics"} @String{j-TECH-CULTURE= "Technology and Culture"} @String{j-THEOR-CHEM-ACCOUNTS= "Theoretical Chemistry Accounts"} @String{j-THEOR-CHIM-ACTA= "Theoretica Chimica Acta"} @String{j-Z-ANGE-MATH-MECH= "{Zeitschrift f{\"u}r Angewandte Mathematik und Mechanik}"} @String{j-Z-NATURFORSCH-A-ASTROPHYS-PHYS-PHYS-CHEM= "{Zeitschrift f{\"u}r Naturforschung Teil A: Astrophysik, Physik, und Physikalische Chemie}"} @String{j-Z-PHYSIK= "{Zeitschrift f{\"u}r Physik}"}

%%% ==================================================================== %%% Publisher abbreviations:

@String{pub-ACM= "ACM Press"} @String{pub-ACM:adr= "New York, NY 10036, USA"} @String{pub-AMERICAN-PHILOSOPHICAL-SOCIETY= "American Philosophical Society"} @String{pub-AMERICAN-PHILOSOPHICAL-SOCIETY:adr= "Philadelphia, PA, USA"} @String{pub-AW= "Ad{\-d}i{\-s}on-Wes{\-l}ey"} @String{pub-AW:adr= "Reading, MA, USA"} @String{pub-BIRKHAUSER= "Birkh{\"a}user Verlag"} @String{pub-BIRKHAUSER:adr= "Basel, Switzerland"} @String{pub-CAMBRIDGE= "Cambridge University Press"} @String{pub-CAMBRIDGE:adr= "Cambridge, UK"} @String{pub-CLARENDON= "Clarendon Press"} @String{pub-CLARENDON:adr= "Oxford, UK"} @String{pub-DOVER= "Dover Publications, Inc."} @String{pub-DOVER:adr= "New York, NY, USA"} @String{pub-ELSEVIER= "Elsevier"} @String{pub-ELSEVIER:adr= "Amsterdam, The Netherlands"} @String{pub-IEEE= "IEEE Computer Society Press"} @String{pub-IEEE:adr= "1109 Spring Street, Suite 300, Silver Spring, MD 20910, USA"} @String{pub-IOP= "IOP Publishing"} @String{pub-IOP:adr= "Bristol, UK"} @String{pub-KLUWER= "Kluwer Academic Publishers"} @String{pub-KLUWER:adr= "Norwell, MA, USA, and Dordrecht, The Netherlands"} @String{pub-MCGRAW-HILL= "Mc{\-}Graw-Hill"} @String{pub-MCGRAW-HILL:adr= "New York, NY, USA"} @String{pub-MIT= "MIT Press"} @String{pub-MIT:adr= "Cambridge, MA, USA"} @String{pub-OXFORD= "Oxford University Press"} @String{pub-OXFORD:adr= "Walton Street, Oxford OX2 6DP, UK"} @String{pub-PLENUM= "Plenum Press"} @String{pub-PLENUM:adr= "New York, NY, USA; London, UK"} @String{pub-SIAM= "SIAM Press"} @String{pub-SIAM:adr= "Philadelphia, PA, USA"} @String{pub-SV= "Spring{\-}er-Ver{\-}lag"} @String{pub-SV:adr= "Berlin, Germany~/ Heidelberg, Germany~/ London, UK~/ etc."} @String{pub-U-ILL= "University of Illinois Press"} @String{pub-U-ILL:adr= "Urbana, IL, USA"} @String{pub-US-GPO= "U.S. Government Printing Office"} @String{pub-US-GPO:adr= "Washington, DC, USA"} @String{pub-WILEY= "Wiley"} @String{pub-WILEY:adr= "New York, NY, USA"} @String{pub-WORLD-SCI= "World Scientific Publishing Co. Pte. Ltd."} @String{pub-WORLD-SCI:adr= "P. O. Box 128, Farrer Road, Singapore 9128"}

%%% ==================================================================== %%% Part 1 (of 3): Publications by Douglas Hartree %%% %%% Bibliography entries, sorted by year, and then by citation label %%% (with ``bibsort -byyear'')

@Article{Hartree:1912:OCP, author = "D. R. Hartree", title = "Observations on certain periodic properties of numbers", journal = "J. Bedales School Sci. Soc.", number = "2", pages = "29--29", year = "1912", bibdate = "Thu Aug 03 17:26:51 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1913:MRC, author = "D. R. Hartree", title = "The {May} races, {Cambridge}, 1913", journal = "Bedales Chronicle", volume = "??", number = "??", pages = "??--??", month = jun, year = "1913", bibdate = "Mon Aug 07 15:28:14 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "Mentioned in \cite[p. 10]{FroeseFischer:2003:DRH}.", } @Article{Bairstow:1920:PDH, author = "Leonard Bairstow and Ralph Howard Fowler and D. R. Hartree", title = "The pressure distribution on the head of a shell moving at high velocities", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "97", number = "684", pages = "202--218", day = "1", month = may, year = "1920", DOI = "https://doi.org/10.1098/rspa.1920.0027", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", remark = "Ralph Howard Fowler was Ernest Rutherford's son-in-law.", } @Article{Hartree:1920:BCa, author = "D. R. Hartree", title = "Ballistic Calculations", journal = j-NATURE, volume = "106", number = "2657", pages = "152--154", day = "30", month = sep, year = "1920", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/106152a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Tue Sep 5 11:30:27 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", } @Article{Hartree:1920:BCb, author = "D. R. Hartree", title = "Ballistic calculations", journal = j-NATURE, volume = "106", number = "2659", pages = "232--232", day = "14", month = oct, year = "1920", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/106232a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:27:53 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.nature.com/articles/106232a0", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", remark = "TO DO: not found in v106p232", } @Article{Hartree:1923:ASR, author = "D. R. {Hartree, B.A.}", title = "On atomic structure and the reflection of {X}-rays by crystals", journal = j-PHILOS-MAG, volume = "46", number = "276", pages = "1091--1111", year = "1923", CODEN = "PHMAA4", ISSN = "0031-8086", ISSN-L = "0031-8086", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Magazine", journal-URL = "http://www.tandfonline.com/loi/tphm19", } @Article{Hartree:1923:CNU, author = "D. R. Hartree", title = "On the correction for non-uniformity of field in experiments on the magnetic deflection of $ \beta $-rays", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "21", number = "??", pages = "746--752", day = "??", month = "????", year = "1923", CODEN = "PCPSA4", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1923:PCT, author = "D. R. Hartree", title = "On the propagation of certain types of electromagnetic waves", journal = j-PHILOS-MAG, volume = "46", number = "273", pages = "454--460", year = "1923", CODEN = "PHMAA4", DOI = "https://doi.org/10.1080/14786442308634268", ISSN = "0031-8086", ISSN-L = "0031-8086", bibdate = "Thu Aug 03 17:28:49 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.tandfonline.com/doi/full/10.1080/14786442308634268", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Magazine", journal-URL = "http://www.tandfonline.com/loi/tphm19", } @TechReport{Hartree:1953:SPM, author = "Douglas R. Hartree", title = "Some Practical Methods of Using Characteristics in the Calculation of Non-steady Compressible Flow", type = "Report", number = "AECU-2713", institution = "United States Atomic Energy Commission and Department of Mathematics, Harvard University", address = "Oak Ridge, TN, USA and Cambridge 38, MA, USA", pages = "ii + 44", month = sep, year = "1953", DOI = "https://doi.org/10.2172/4396914", bibdate = "Tue Sep 05 10:48:00 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.osti.gov/servlets/purl/4396914", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1923:SAN, author = "D. R. Hartree", title = "Some approximate numerical applications of {Bohr}'s theory of spectra", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "21", number = "??", pages = "625--641", month = "????", year = "1923", CODEN = "PCPSA4", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:29:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.biodiversitylibrary.org/item/88477#page/653/mode/1up", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "21 May 1923", } @Article{Hartree:1924:SME, author = "D. R. Hartree", title = "Some methods of estimating the successive ionisation potentials of any element", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "22", number = "3", pages = "464--474", day = "20", month = sep, year = "1924", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100014377", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1924PCPS...22..464H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1924:SRB, author = "D. R. Hartree", title = "Some relations between the optical spectra of different atoms of the same electron structure. {I}. --- {Lithium}-like and sodium-like atoms", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "106", number = "739", pages = "552--580", day = "1", month = nov, year = "1924", DOI = "https://doi.org/10.1098/rspa.1924.0087", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "1364-5021", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1924RSPSA.106..552H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", } @Article{Hartree:1924:SSL, author = "D. R. Hartree", title = "The spectra of some lithium-like and sodium-like atoms", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "22", number = "3", pages = "409--425", day = "20", month = sep, year = "1924", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100014328", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1924PCPS...22..409H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1925:ASF, author = "D. R. Hartree", title = "The atomic structure factor in the intensity of reflection of {X}-rays by crystals", journal = j-PHILOS-MAG, volume = "50", number = "295", pages = "289--306", year = "1925", CODEN = "PHMAA4", DOI = "https://doi.org/10.1080/14786442508634740", ISSN = "0031-8086", ISSN-L = "0031-8086", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.tandfonline.com/doi/full/10.1080/14786442508634740", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Magazine", journal-URL = "http://www.tandfonline.com/loi/tphm19", } @TechReport{Hartree:1925:CTB, author = "D. R. Hartree", title = "Contribution to {{\booktitle{Text-Book of Anti-Aircraft Gunnery}}}", type = "Report", number = "1", institution = "His Majesty's Stationery Office", address = "London, UK", year = "1925", bibdate = "Thu Aug 03 17:21:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1925:DTS, author = "D. R. Hartree", title = "Doublet and triplet separations in optical spectra as evidence whether orbits penetrate into the core", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "22", number = "6", pages = "904--918", month = nov, year = "1925", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S030500410001450X", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1925PCPS...22..904H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1925:IPI, author = "D. R. Hartree", title = "The ionisation potential of ionised manganese", journal = j-NATURE, volume = "116", number = "2914", pages = "356--356", day = "5", month = sep, year = "1925", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/116356a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1925Natur.116Q.356H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", } @Article{Hartree:1925:NDT, author = "D. R. Hartree", title = "Note on {Dr Turner}'s paper on {`Quantum defect and atomic number'}", journal = j-PHILOS-MAG, volume = "49", number = "290", pages = "390--396", year = "1925", CODEN = "PHMAA4", DOI = "https://doi.org/10.1080/14786442508634615", ISSN = "0031-8086", ISSN-L = "0031-8086", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.tandfonline.com/doi/abs/10.1080/14786442508634615", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Magazine", journal-URL = "http://www.tandfonline.com/loi/tphm19", } @Article{Fowler:1926:ISI, author = "Ralph Howard Fowler and D. R. Hartree", title = "An interpretation of the spectrum of ionised oxygen {(O II)}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "111", number = "757", pages = "83--94", day = "1", month = may, year = "1926", DOI = "https://doi.org/10.1098/rspa.1926.0050", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/94664", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", remark = "Ralph Howard Fowler was Ernest Rutherford's son-in-law.", } @PhdThesis{Hartree:1926:SQA, author = "D. R. Hartree", title = "Some Quantitative Applications of {Bohr}'s Theory of Spectra", type = "{Ph.D.} thesis", school = "Faculty of Physics and Chemistry, University of Cambridge", address = "Cambridge, UK", pages = "????", day = "9", month = oct, year = "1926", bibdate = "Thu Aug 03 09:38:51 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://idiscover.lib.cam.ac.uk/permalink/f/iojq9k/44CAM_ALMA21428192490003606; https://www.proquest.com/pqdtglobal/docview/301187054", abstract = "[From the first paragraph]: ``In the past two years a theory of spectra and atomic constitution has been developed in considerable detail by Bohr [N. Bohr, Zeit. f{\"u}r Phys. 9, p. 1 (1922); The Theory of Spectra and Atomic Constitution (Camb. Univ. Press, 1922). See also N. Bohr and D. Coster, Zeit. f{\"u}r Phys. 12, p. 342 (1923)] in a more or less qualitative form. This theory is accepted completely in the present paper, which deals with an attempt to make a more quantitative application of it to the investigation of the spectra and structure of certain atoms. The general idea of this attempt is the determination of an electric field such that the orbits specified by the application of the quantum conditions to the motion of an electron in this field shall have the energies assigned to the different terms in the optical and X-ray spectra. The dimensions of the orbits and variation of time along them can then be calculated.''", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark-1 = "Copy not available from the University of Cambridge Library, nor from ProQuest Dissertations and Theses Global. Sources disagree on the thesis advisor (Fowler or Rutherford), and the degree date (1926 or 1927). The iDiscover and Library Hub Discover catalogs say 27 October 1926, but no electronic copy is available, nor is the advisor listed, and the manuscript in the University Library is not borrowable. Entry Hartree:1923:SAN is for an article of a similar title. Entry SwirlesJeffreys:1987:DRH reports that R. H. Fowler wrote a 7-page report on Hartree's dissertation, but does not identify the official advisor.", remark-2 = "On 12 September 2023, a University of Cambridge iDiscover library catalog staff member kindly checked their physical copy of this thesis and found that there is no clear statement of an advisor. Instead, Hartree thanks Professors R. H. Fowler and W. H. Bragg for suggesting subject matter in a chapter. There is no mention of Ernest Rutherford.", remark-3 = "The University of Cambridge library reports that the thesis is under copyright by the heirs of Douglas Hartree, and cannot be made available online without their permission.", submitted = "17 June 1926", xxadvisor = "Sir Ernest Rutherford [Nobel Prize in Chemistry in 1908] and Ralph Howard Fowler", } @Article{Hartree:1926:SRB, author = "D. R. Hartree", title = "Some relations between the optical spectra of different atoms with the same electronic structure. {Part II}. {Aluminium}-like and copper-like atoms", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "23", number = "3", pages = "304--326", month = jul, year = "1926", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S030500410000921X", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1926PCPS...23..304H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "2589336", } @Book{Born:1927:MA, author = "Max Born", title = "The Mechanics of the Atom", publisher = "G. Bell and Sons", address = "London, UK", pages = "xvi + 317", year = "1927", bibdate = "Thu Aug 03 17:23:10 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "English translation by Joseph William Fisher and D. R. Hartree of German original, \booktitle{Atommechanik}.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1928:WMAa, author = "D. R. Hartree", title = "The Wave Mechanics of an Atom with a Non-{Coulomb} Central Field. {Part I}. {Theory} and Methods", journal = j-MATH-PROC-CAMB-PHILOS-SOC, volume = "24", number = "1", pages = "89--110", month = jan, year = "1928", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100011919", ISSN = "0008-1981", ISSN-L = "0305-0041", bibdate = "Thu Jun 02 08:59:51 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/bohr-niels.bib; https://www.math.utah.edu/pub/bibnet/authors/d/dirac-p-a-m.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Page 91 of this paper introduces atomic units for {\em length} ({$ a_H = h^2 / (4 \pi^2 m e^2) $}, the radius of first Bohr orbit of hydrogen), {\em charge} ($e$, the electron charge), and {\em mass} ($m$, electron mass). From these are derived the {\em unit of action} ($ h / (2 \pi) $ ), the {\em unit of energy} ($ e^2 / a $, twice the ionization energy of hydrogen), and the {\em unit of time} ({$ 1 / (4 \pi c R) $}). The value {$R$} is the Rydberg constant. Atomic units have since been in wide use in quantum science, to avoid dependence of calculations on physical constants whose accuracy improves over time, but some are still known only to a few decimal digits.", URL = "https://ui.adsabs.harvard.edu/abs/1928PCPS...24..426H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Mathematical proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "21 November 1927", received = "19 November 1927", ZBmath = "2579725", } @Article{Hartree:1928:WMAb, author = "D. R. Hartree", title = "The wave mechanics of an atom with a non-{Coulomb} central field. {Part II}. {Some} results and discussion", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "24", number = "1", pages = "111--132", month = jan, year = "1928", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100011920", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1928PCPS...24..111H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "21 November 1927", received = "19 November 1927", remark-1 = "Check year: 1928, or 1927 as in FroeseFischer:1977:HFM (p. 303)??. 1928 is the publication year, but the paper was submitted in November 1927.", remark-2 = "From page 113: ``If the final field is the same as the initial field, the field will be called self-consistent,' and the determination of self-consistent fields for various atoms is the main object of this paper.'' This may be the first mention of self-consistent in Hartree's journal articles, but it may also be present is doctoral dissertation (no copy yet available).", ZBmath = "2579725", } @Article{Hartree:1928:WMAc, author = "D. R. Hartree", title = "The wave mechanics of an atom with a non-{Coulomb} central field. {Part III}. {Term} values and intensities in optical spectra", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "24", number = "3", pages = "426--437", month = jul, year = "1928", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100011919", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1928PCPS...24...89H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "21 November 1927", received = "19 November 1927", ZBmath = "2579725", } @Article{James:1928:IEZ, author = "Reginald William James and Ivar Waller and D. R. Hartree", title = "An investigation into the existence of zero-point energy in the Rock-Salt Lattice by an {X}-Ray Diffraction Method", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "118", number = "779", pages = "334--350", month = mar, year = "1928", DOI = "https://doi.org/10.1098/rspa.1928.0055", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/94908", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", remark = "Ivar Waller was Per-Olov L{\"o}wdin's thesis (1948) advisor.", } @Article{Hartree:1929:DCC, author = "D. R. Hartree", title = "The distribution of charge and current in an atom consisting of many electrons obeying {Dirac}'s equations", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "25", number = "2", pages = "225--236", month = apr, year = "1929", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100018764", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1929PCPS...25..225H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "2571736", } @Article{Hartree:1929:EIA, author = "D. R. Hartree", title = "{Die Elektrizit{\"a}tsverteilung im Atom}. ({German}) [{The} distribution of electricity in the atom]", journal = j-PHYSIKAL-Z, volume = "30", number = "??", pages = "517--518", day = "??", month = "????", year = "1929", CODEN = "PHZTAO", ISSN = "0369-982X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Summary of lecture at Z{\"u}rich conference.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physikalische Zeitschrift", journal-URL = "http://catalog.hathitrust.org/Record/000541302", language = "German", xxCODEN = "NATWAY", xxfjournal = "Naturwissenschaften", xxISSN = "0028-1042 (print), 1432-1904 (electronic)", xxissn-l = "0028-1042", xxjournal = j-NATURWISSENSCHAFTEN, xxjournal-url = "http://link.springer.com/journal/114", } @Article{Hartree:1929:PEW, author = "D. R. Hartree", title = "The propagation of electromagnetic waves in a stratified medium", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "25", number = "1", pages = "97--120", month = jan, year = "1929", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100018600", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1929PCPS...25...97H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1929:WMA, author = "D. R. Hartree", title = "The wave mechanics of an atom with a non-{Coulomb} central field. {Part IV}. {Further} results relating to the optical spectrum", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "25", number = "3", pages = "310--314", month = jul, year = "1929", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100014031", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1929PCPS...25..310H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "2571788", } @Article{Rutherford:1929:DSA, author = "{Sir} Ernest Rutherford and F. W. (Francis William) Aston and James Chadwick and C. D. (Charles Drummond) Ellis and George Gamow and Ralph Howard Fowler and Owen W. Richardson and Douglas R. Hartree", title = "Discussion on the Structure of Atomic Nuclei", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "123", number = "792", pages = "373--390", day = "6", month = apr, year = "1929", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1929.0074", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "1364-5021", bibdate = "Fri Dec 25 08:18:52 2015", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/g/gamow-george.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/r/rutherford-ernest.bib; JSTOR database", URL = "http://www.jstor.org/stable/pdfplus/95202.pdf", acknowledgement = ack-nhfb, author-dates = "George Gamow (1904--1968); Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", remark = "General constitution of the nucleus as a collection of $ \alpha $-particles.", } @Article{Waller:1929:ITS, author = "Ivar Waller and D. R. Hartree", title = "On the intensity of total scattering of {X}-rays", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "124", number = "793", pages = "119--142", month = may, year = "1929", DOI = "https://doi.org/10.1098/rspa.1929.0101", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "29 January 1929", remark = "Ivar Waller was Per-Olov L{\"o}wdin's thesis (1948) advisor.", ZBmath = "2571754", } @Article{Hartree:1931:OEP, author = "D. R. Hartree", title = "Optical and equivalent paths in a stratified medium, treated from a wave standpoint", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "131", number = "817", pages = "428--450", month = may, year = "1931", DOI = "https://doi.org/10.1098/rspa.1931.0063", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1931RSPSA.131..428H", ZMnumber = "0002.08401", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3001522; 2559690", } @Article{Hartree:1931:PEW, author = "D. R. Hartree", title = "The propagation of electromagnetic waves in a refracting medium in a magnetic field", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "27", number = "1", pages = "143--162", month = jan, year = "1931", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100009440", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1931PCPS...27..143H", ZMnumber = "0001.08704", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3000236; 2559572", } @Article{Hartree:1931:WMF, author = "D. R. Hartree", title = "The Wave Mechanics of Free Electrons", journal = j-NATURE, volume = "128", number = "3219", pages = "47--49", day = "11", month = jul, year = "1931", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/128047a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Sat Aug 5 06:02:15 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1931Natur.128...47H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", } @Misc{Hartree:1932:M, author = "D. R. Hartree", title = "Mechanics", howpublished = "UK National Archives papers", year = "1932--1933", bibdate = "Wed Aug 09 12:21:20 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/1: Book on Dynamics: Correspondence with S. C. Roberts (Secretary to Syndics, C.U.P.) and with Dr. Swirles; Hartree's outline sketches for chapter contents 1--19.", URL = "https://discovery.nationalarchives.gov.uk/details/r/ed992106-f3e4-4699-a800-46303e2fd2d9", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1932:RCA, author = "D. R. Hartree", title = "Review: {{\booktitle{The Constitution of Atomic Nuclei and Radioactivity}} by George Gamow}", journal = j-MATH-GAZ, volume = "16", number = "220", pages = "284--285", month = oct, year = "1932", CODEN = "MAGAAS", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Tue May 29 07:53:43 MDT 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/g/gamow-george.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; JSTOR database", URL = "http://www.jstor.org/stable/pdfplus/3605938.pdf", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Mathematical Gazette", journal-URL = "http://www.m-a.org.uk/jsp/index.jsp?lnk=620", } @Article{Hartree:1933:AWF, author = "D. R. Hartree and A. L. Ingman", title = "An approximate wave function for the normal helium atom", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "77", number = "??", pages = "69--90", day = "??", month = "????", year = "1933", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", remark = "Check author order.", ZBmath = "2548173", } @Article{Hartree:1933:DFI, author = "D. R. Hartree", title = "The dispersion formula for an ionised medium", journal = j-NATURE, volume = "132", number = "3346", pages = "929--930", day = "16", month = dec, year = "1933", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/132929a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1933Natur.132..929H; https://www.nature.com/articles/132929a0", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", ZBmath = "2545373", } @Article{Hartree:1933:PMN, author = "D. R. Hartree", title = "A practical method for the numerical solution of differential equations", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "77", number = "??", pages = "91--107", day = "??", month = "????", year = "1933", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", ZBmath = "2546897", } @Article{Hartree:1933:RCA, author = "D. R. Hartree", title = "Results of calculations of atomic wave functions. {I}. --- {Survey}, and self-consistent fields for {Cl$^-$} and {Cu$^+$}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "141", number = "844", pages = "282--301", day = "1", month = aug, year = "1933", DOI = "https://doi.org/10.1098/rspa.1933.0118", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1933RSPSA.141..282H", ZMnumber = "0007.26604", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2548187; 3010231", } @Article{Hartree:1933:TIO, author = "D. R. Hartree and M. M. Black", title = "A theoretical investigation of the oxygen atom in various states of ionisation", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "139", number = "838", pages = "311--335", month = feb, year = "1933", DOI = "https://doi.org/10.1098/rspa.1933.0019", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/95975; https://ui.adsabs.harvard.edu/abs/1933RSPSA.139..311H", ZMnumber = "0006.18902", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3008202; 2548190", } @Article{Hartree:1934:AWF, author = "D. R. Hartree", title = "Approximate wave functions and atomic field for mercury", journal = j-PHYS-REV, volume = "46", number = "8", pages = "738--743", month = oct, year = "1934", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.46.738", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.46.738; https://ui.adsabs.harvard.edu/abs/1934PhRv...46..738H", ZMnumber = "0010.13604", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", received = "9 Aug 1934", ZBmath = "3014937; 2540982", } @Article{Hartree:1934:RCA, author = "D. R. Hartree", title = "Results of calculations of atomic wave functions. {II}. --- Results for {K$^+$} and {Cs$^+$}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "143", number = "850", pages = "506--517", day = "1", month = feb, year = "1934", DOI = "https://doi.org/10.1098/rspa.1934.0017", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1934RSPSA.143..506H", ZMnumber = "0010.18903", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2548188; 3015137", } @Article{Hartree:1934:TCF, author = "D. R. Hartree and R. de L. {Kronig} and H. Petersen", title = "A theoretical calculation of the fine structure of the {K}-absorption band of {Ge} in {GeCL$_4$}", journal = j-PHYSICA, volume = "1", number = "7--12", pages = "895--924", month = may, year = "1934", CODEN = "PHYSAG", DOI = "https://doi.org/10.1016/S0031-8914(34)80284-4", ISSN = "0031-8914 (print), 1873-1767 (electronic)", ISSN-L = "0031-8914", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See errata \cite{Hartree:1935:ETC}.", URL = "https://ui.adsabs.harvard.edu/abs/1934Phy.....1..895H; https://www.sciencedirect.com/science/article/abs/pii/S0031891434802844", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physica", journal-URL = "http://www.sciencedirect.com/science/journal/00318914/", remark = "From p. 898: ``The calculation of these phases is often carried out by the approximate method of Jeffreys [10], which was developed independently with special reference to wave mechanical applications by [Gregor] Wentzel [(1898--1978)] [11], [Hendrik Anthony] Kramers [(1894--1952)] [12], and [L{\'e}on] Brillouin [(1889--1969)] [13], by whose names it is commonly known in such applications. We have not used this approximation, since it is probably not at all good for the range of small energies in which the most interesting part of the fine structure occurs, \ldots{}''. Many physics publications refer to that method as the ``WKB approximation'', published in three papers in German and French physics journals in 1926, but here Hartree credits H. (Harold) Jeffreys (22 April 1891--18 March 1989), ``On Certain Approximate Solutions of Linear Differential Equations of the Second Order'', Proc. Lond. Math. Soc. {\bf s2-23}, 428--436 (not 420, as cited by Hartree), 1924 (doi: 10.1112/plms/s2-23.1.428). The paper was received 15 March 1923, read 26 April 1923, revised 17 April 1924. It, plus two adjacent papers by Jeffreys, were recommended for the Adams Prize of the University of Cambridge. The volume year is 1924, but the running page headers in the paper say April 26, 1923. Thus, some later authors refer more properly to the JWKB method. See further description in the article https://en.wikipedia.org/wiki/WKB_approximation.", } @Article{Hartree:1935:BSQ, author = "D. R. Hartree", title = "The bearing of statistical and quantum mechanics on school work", journal = j-MATH-GAZ, volume = "22", number = "233", pages = "73--78", month = may, year = "1935", CODEN = "MAGAAS", DOI = "https://doi.org/10.2307/3608018", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.jstor.org/stable/3608018", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", ZBmath = "2531241", } @Article{Hartree:1935:COM, author = "D. R. Hartree and Arthur Porter", title = "The construction and operation of a model differential analyser", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "79", number = "5", pages = "51--73", month = jul, year = "1935", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reprinted in \cite{Porter:1936:DAS}.", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", ZBmath = "2535754", } @Article{Hartree:1935:DA, author = "D. R. Hartree", title = "The differential analyser", journal = j-NATURE, volume = "135", number = "3423", pages = "940--943", day = "8", month = jun, year = "1935", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/135940a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1935Natur.135..940H; https://www.nature.com/articles/135940a0", ZMnumber = "0012.11701", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", ZBmath = "3018397", } @Article{Hartree:1935:ETC, author = "D. R. Hartree and R. de L. {Kronig} and H. Petersen", title = "Errata: {A theoretical calculation of the fine structure of the K-absorption band of Ge in GeCL$_4$}", journal = j-PHYSICA, volume = "2", number = "1", pages = "144--144", month = jan, year = "1935", CODEN = "PHYSAG", DOI = "https://doi.org/10.1016/S0031-8914(35)90075-1", ISSN = "0031-8914 (print), 1873-1767 (electronic)", ISSN-L = "0031-8914", bibdate = "Sat Aug 5 06:02:15 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See \cite{Hartree:1934:TCF}.", URL = "https://ui.adsabs.harvard.edu/abs/1935Phy.....2..144H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physica", journal-URL = "http://www.sciencedirect.com/science/journal/00318914/", } @Article{Hartree:1935:RCAa, author = "D. R. Hartree and William Hartree", title = "Results of calculations of atomic wave functions. {III}. --- {Results} for {Be}, {Ca} and {Hg}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "149", number = "867", pages = "210--231", month = apr, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0058", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1935RSPSA.151...96H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2536924", } @Article{Hartree:1935:RCAb, author = "D. R. Hartree", title = "Results of calculations of atomic wave functions. {IV}. --- {Results} for {F$^-$}, {Al$^{+3}$}, and {Rb$^+$}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "151", number = "872", pages = "96--105", month = aug, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0135", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1935RSPSA.149..210H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", } @Article{Hartree:1935:SCF, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for beryllium", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "150", number = "869", pages = "9--33", month = may, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0085", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1935RSPSA.150....9H", ZMnumber = "0011.33004", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3017487; 2536851", } @Article{Hartree:1935:SPA, author = "D. R. Hartree", title = "Some properties and applications of the repeated integrals of the error function", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "80", number = "??", pages = "85--102", day = "??", month = "????", year = "1935", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", ZBmath = "2529358", } @Article{Callender:1936:TLC, author = "A. Callender and D. R. Hartree and Arthur Porter", title = "Time-lag in a control system", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "235", number = "756", pages = "415--444", month = jul, year = "1936", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1936.0007", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", ZMnumber = "0014.32302", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", ZBmath = "2529447; 3022723", } @InProceedings{Hartree:1936:ADA, author = "D. R. Hartree", editor = "????", booktitle = "Reports of the {International Congress of Mathematicians, Oslo}", title = "The application of the differential analyser to the solution of partial differential equations", publisher = "Gauthier-Villars", address = "Paris, France", pages = "231--??", year = "1936", bibdate = "Fri Aug 04 06:06:54 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", ZBmath = "2521399", } @Article{Hartree:1936:SCFa, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for beryllium --- {II} --- {The} $ (2 s) (2 p) $ {$^3$P} and {$^1$P} excited states", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "154", number = "883", pages = "588--607", month = may, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0071", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1936RSPSA.154..588H", ZMnumber = "0013.42903", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3021427; 2530936", } @Article{Hartree:1936:SCFb, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for {Cl$^-$}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "156", number = "887", pages = "45--62", month = aug, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0134", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1936RSPSA.156...45H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2530937", } @Article{Hartree:1936:SCFc, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for {Cu$^+$}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "157", number = "892", pages = "490--502", month = dec, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0210", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1936RSPSA.157..490H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2530938", } @Article{Hartree:1936:TCA, author = "D. R. Hartree", title = "The theory of complex atoms", journal = j-NATURE, volume = "138", number = "3504", pages = "1080--1082", day = "26", month = dec, year = "1936", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/1381080a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.nature.com/articles/1381080a0", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", } @Article{Hartree:1936:VN, author = "D. R. Hartree and S. Chapman and E. A. Milne", title = "Vector notation", journal = j-MATH-GAZ, volume = "20", number = "240", pages = "272--275", month = oct, year = "1936", CODEN = "MAGAAS", DOI = "https://doi.org/10.2307/3607781", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.jstor.org/stable/3607781", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", } @Article{Nuttall:1936:RNL, author = "A. K. Nuttall and D. R. Hartree and Arthur Porter", title = "The response of a non-linear electric circuit to an impulse", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "32", number = "2", pages = "304--320", month = may, year = "1936", CODEN = "PCPSA4", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", remark = "Check author order.", } @Misc{Hartree:1937:CSE, author = "D. R. Hartree", title = "Calculations on {Schubaurer}'s Ellipse", howpublished = "University of Cambridge Library catalog: Four folders of handwritten calculations, c. 1930s: Schubaurer's Ellipse --- 0.2 to 0.4, 0.4 to 1.0, 1.0 to 1.8, and 1.8 to 2.0. Loose items: a letter from L. J. Comrie to Hartree, 17 September 1937, discussing a calculation; a letter from Bertha Jeffreys, Lady Jeffreys, to A. E. B. Owen, 5 December 1986, forwarding a letter from Prof. L. Howarth of Bristol, confirming that the papers were likely to be those of Hartree, and citing his publications on these experiments.", year = "1937", bibdate = "Sat Aug 05 15:46:27 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1937:ECI, author = "D. R. Hartree and Bertha Swirles", title = "The effect of configuration interaction on the low terms of the spectra of oxygen", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "33", number = "2", pages = "240--249", month = apr, year = "1937", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100019587", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1937PCPS...33..240H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1937:EOF, author = "D. R. Hartree", title = "On an equation occurring in {Falkner} and {Skan}'s approximate treatment of the equations of the boundary layer", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "33", number = "2", pages = "223--239", month = apr, year = "1937", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100019575", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1937PCPS...33..223H", ZMnumber = "0017.08004", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3026945; 2521032", } @Article{Hartree:1937:MNM, author = "D. R. Hartree and J. R. Womersley", title = "A method for the numerical or mechanical solution of certain types of partial differential equations", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "161", number = "906", pages = "353--366", month = aug, year = "1937", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1937.0149", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1937RSPSA.161..353H", ZMnumber = "0017.08003", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3026944; 2523752", } @Article{Hartree:1937:NSS, author = "D. R. Hartree", title = "Note on a set of solutions of the equation $ j y'' + (2 / x) y' - y^2 = 0 $", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "81", number = "??", pages = "19--27", day = "??", month = "????", year = "1937", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", ZMnumber = "0018.12702", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", ZBmath = "3028825; 2518400", } @Article{Hartree:1937:TLC, author = "D. R. Hartree and Arthur Porter and A. Callender and A. B. Stevenson", title = "Time-lag in a control system --- {II}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "161", number = "907", pages = "460--476", day = "20", month = aug, year = "1937", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1937.0156", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1937RSPSA.161..460H", ZMnumber = "0017.17803", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "3027336", } @Article{Myers:1937:ESC, author = "David M. Myers and D. R. Hartree and Arthur Porter", title = "The effect of space-charge on the secondary current in a triode", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "158", number = "893", pages = "23--37", month = jan, year = "1937", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1937.0002", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", } @Article{Hartree:1938:ADA, author = "D. R. Hartree and Arthur Porter", title = "The application of the differential analyser to transients on a distortionless transmission line", journal = j-J-INST-ELECTR-ENG, volume = "83", number = "503", pages = "648--656", month = nov, year = "1938", CODEN = "JISEAL", DOI = "https://doi.org/10.1049/jiee-1.1938.0180", ISSN = "0368-2692 (print), 2054-0574 (electronic)", ISSN-L = "0368-2692", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See comments \cite{Anonymous:1939:DAE}.", URL = "https://digital-library.theiet.org/content/journals/10.1049/jiee-1.1938.0180", acknowledgement = ack-nhfb, ajournal = "J. Inst. Electrical Engineers", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of the Institution of Electrical Engineers", journal-URL = "https://digital-library.theiet.org/content/journals/jiee-1", } @Article{Hartree:1938:DAA, author = "D. R. Hartree and A. K. Nuttall", title = "The differential analyser and its applications in electrical engineering", journal = j-J-INST-ELECTR-ENG, volume = "83", number = "503", pages = "643--647", month = nov, year = "1938", CODEN = "JISEAL", DOI = "https://doi.org/10.1049/jiee-1.1938.0179", ISSN = "0368-2692 (print), 2054-0574 (electronic)", ISSN-L = "0368-2692", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See comments \cite{Anonymous:1939:DAE}.", URL = "https://digital-library.theiet.org/content/journals/10.1049/jiee-1.1938.0179", acknowledgement = ack-nhfb, ajournal = "J. Inst. Electrical Engineers", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of the Institution of Electrical Engineers", journal-URL = "https://digital-library.theiet.org/content/journals/jiee-1", } @Article{Hartree:1938:LDS, author = "D. R. Hartree and A. K. Nuttall", title = "L'analyseur diff{\'e}rentiel et ses applications en {\'e}lectrotechnique. ({French}) [{The} differential analyzer and its applications in electrical engineering]", journal = j-REV-GEN-ELECTR, volume = "45", number = "??", pages = "765--771", month = "????", year = "1938", CODEN = "RGELAC", ISSN = "0035-3116 (print), 2419-6533 (electronic)", ISSN-L = "0035-3116", bibdate = "Sat Aug 05 10:55:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Rev. g{\'e}n{\'e}r. {\'E}lectr., {Paris}", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Revue G{\`e}n{\`e}rale de l'{\'E}lectricit{\`e}", jfm = "65.1335.02", journal-URL = "https://gallica.bnf.fr/ark:/12148/bpt6k6580510q", language = "French", remark = "Only volumes 1--7 (1917--1923) are online at the journal URL.", ZBmath = "2513814", } @Article{Hartree:1938:MID, author = "D. R. Hartree", title = "The mechanical integration of differential equations", journal = j-MATH-GAZ, volume = "22", number = "251", pages = "342--364", month = oct, year = "1938", CODEN = "MAGAAS", DOI = "https://doi.org/10.2307/3607893", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Hartree describes his Meccano model of a differential analyzer in this paper.", URL = "https://www.jstor.org/stable/3607893", ZMnumber = "0019.27404", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", remark-1 = "From pp. 349--350: ``\ldots{} my first impression on seeing the photographs of Dr. Bush's machine was that they looked as if some one had been enjoying himself with an extra large Meccano set. This suggested the possibility of trying to build, wholly or at least mainly out of standard Meccano parts, a model version of the machine which would serve as a demonstration model to illustrate qualitatively the general principles on which it works. The result was successful beyond expectation; we found it possible to build, almost entirely in Meccano, a model differential analyser (10), which would work not only qualitatively but quantitatively to an accuracy of about 2 per cent., which could be (and has been) improved by more attention to details of design. \ldots{} I regard the success of this model as a striking tribute to the versatility and practical value of the Meccano system.''", remark-2 = "From p. 350: ``Other small-scale machines, either built of standard parts or workshop built, have been constructed at Cambridge by Professor Lennard-Jones and at Belfast by Dr. Massey (11), and several others are under construction or contemplated.''", remark-3 = "From p. 350: ``The construction of a somewhat smaller and simpler version is not beyond the resources of schools, and some readers may be interested to know that such a model was built a few years ago at Macclesfield Grammar School by Mr. R. Stone and some of his VI Form boys.''", ZBmath = "3031062; 2518791", } @Article{Hartree:1938:NAD, author = "D. R. Hartree and John Ingham", title = "Note on the application of the differential analyser to the calculation of train running times", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "83", number = "??", pages = "1--15", day = "??", month = "????", year = "1938", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", ZBmath = "2516370", } @Article{Hartree:1938:SCFa, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for calcium", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "164", number = "917", pages = "167--191", day = "21", month = jan, year = "1938", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1938.0012", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://royalsocietypublishing.org/doi/10.1098/rspa.1938.0012; https://ui.adsabs.harvard.edu/abs/1938RSPSA.164..167H", acknowledgement = ack-nhfb, ajournal = "Proc. Roy. Soc. A", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", ZBmath = "2519576", } @Article{Hartree:1938:SCFb, author = "D. R. Hartree and William Hartree", title = "Self-consistent field with exchange for potassium and argon", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "166", number = "927", pages = "450--464", month = jun, year = "1938", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1938.0103", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1938RSPSA.166..450H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", } @Article{Hartree:1938:WFN, author = "D. R. Hartree and William Hartree", title = "Wave functions for negative ions of sodium and potassium", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "34", number = "4", pages = "550--558", month = oct, year = "1938", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100020557", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1938PCPS...34..550H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "2517634", } @Article{Copple:1939:ETT, author = "C. Copple and D. R. Hartree and Arthur Porter and H. Tyson", title = "The evaluation of transient temperature distributions in a dielectric in an alternating field", journal = j-J-INST-ELECTR-ENG, volume = "35", number = "511", pages = "56--66", month = jul, year = "1939", CODEN = "JISEAL", DOI = "https://doi.org/10.1049/jiee-1.1939.0135", ISSN = "0368-2692 (print), 2054-0574 (electronic)", ISSN-L = "0368-2692", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://digital-library.theiet.org/content/journals/10.1049/jiee-1.1939.0135", acknowledgement = ack-nhfb, ajournal = "J. Inst. Electrical Engineers", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of the Institution of Electrical Engineers", journal-URL = "https://digital-library.theiet.org/content/journals/jiee-1", } @Article{Crank:1939:DPC, author = "John Crank and D. R. Hartree and John Ingham and R. W. Sloane", title = "Distribution of potential in cylindrical thermionic valves", journal = j-PROC-PHYS-SOC, volume = "51", number = "6", pages = "952--971", month = nov, year = "1939", CODEN = "PPSOAU", DOI = "https://doi.org/10.1088/0959-5309/51/6/304", ISSN = "0959-5309 (print), 2051-2171 (electronic)", ISSN-L = "0959-5309", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); John Crank (6 February 1916--3 October 2006)", fjournal = "Proceedings of the Physical Society, London", journal-URL = "https://iopscience.iop.org/journal/0959-5309", } @Article{Hartree:1939:AAD, author = "D. R. Hartree and A. Porter", title = "Application de l'analyseur diff{\'e}rentiel {\`a} l'{\'e}tude des ondes mobiles sur une ligne de transmission d'{\'e}nergie sans distorsion. ({French}) [{Application} of the differential analyzer to the study of moving waves on a power transmission line without distortion]", journal = j-REV-GEN-ELECTR, volume = "45", number = "??", pages = "772--780", year = "1939", CODEN = "RGELAC", ISSN = "0035-3116 (print), 2419-6533 (electronic)", ISSN-L = "0035-3116", bibdate = "Sat Aug 5 10:54:32 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Revue G{\`e}n{\`e}rale de l'{\'E}lectricit{\`e}", jfm = "65.1335.03", journal-URL = "https://gallica.bnf.fr/ark:/12148/bpt6k6580510q", language = "French", remark = "Only volumes 1--7 (1917--1923) are online at the journal URL.", ZBmath = "2513815", } @Article{Hartree:1939:NF, author = "D. R. Hartree and S. Johnston", title = "Note on the function $ \chi (x) = \int_0^\infty \exp ( - (x - w^2)^2) \, d w $", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "83", number = "??", pages = "183--??", day = "??", month = "????", year = "1939", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", } @Article{Hartree:1939:NIO, author = "D. R. Hartree", title = "Note on an integral occurring in the cascade theory of cosmic ray showers", journal = j-MEM-PROC-MANCHESTER-LIT-PHILOS-SOC, volume = "83", number = "??", pages = "175--182", day = "??", month = "????", year = "1939", CODEN = "MPMLAQ", ISSN = "0076-3721", ISSN-L = "0076-3721", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Mem. Proc. Manchester Lit. Philos. Soc.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Memoirs and Proceedings of the Manchester Literary and Philosophical Society (Manchester Memoirs)", journal-URL = "http://www.manlitphil.ac.uk/pages/?page_id=20", } @Article{Hartree:1939:SCF, author = "D. R. Hartree and William Hartree and Bertha Swirles", title = "Self-consistent field, including exchange and superposition of configurations, with some results for oxygen", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "238", number = "790", pages = "229--247", month = jul, year = "1939", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1939.0008", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1939RSPTA.238..229H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", } @Article{Hartree:1940:BDA, author = "D. R. Hartree", title = "The {Bush} differential analyser and its applications", journal = j-NATURE, volume = "146", number = "3697", pages = "319--323", day = "7", month = sep, year = "1940", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/146319a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", MRclass = "65.0X", MRnumber = "2494", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1940Natur.146..319H", ZMnumber = "0061.29505", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", ZBmath = "3101393", } @Article{Hartree:1940:GCM, author = "D. R. Hartree", title = "A great calculating machine: the {Bush} differential analyser and its applications in science and industry", journal = j-PROC-R-INST-G-B, volume = "31", number = "??", pages = "151--194", day = "??", month = "????", year = "1940", CODEN = "PIGBAI", ISSN = "0035-8959", ISSN-L = "0035-8959", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Presented at the Weekly Evening Meeting Royal Institution of Great Britain. Friday, May 17, 1940.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Institution of Great Britain", journal-URL = "http://catalog.hathitrust.org/Record/008307565", xxnote = "Check pages", xxpages = "151--170", } @Article{Hartree:1940:SCFa, author = "William Hartree and D. R. Hartree and Millard F. Manning", title = "Self-consistent field calculations for {Zn}, {Ga}, {Ga$^+$}, {Ga$^{+ + +}$}, {As}, {As$^+$}, {As$^{++}$}, {As$^{+ + + +}$}", journal = j-PHYS-REV, volume = "59", number = "3", pages = "299--305", month = feb, year = "1940", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.59.299", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.59.299", ZMnumber = "0027.04303", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", remark = "From the first footnote: ``Prepared for publication by Millard F. Manning, University of Pittsburgh, Pittsburgh, Pennsylvania. Shortly after the outbreak of the war in Europe, Mr. W. Hartree sent to this country a set of the results of his recent unpublished self-consistent field calculations with the request that they be made available to interested physicists in this country. Only the wave functions and not the effective nuclear charges were received. The undersigned has calculated these and supplied the textual material. Professor Hartree has commented on the manuscript but has not seen the proof. Correspondence about this paper and requests for reprints should be addressed to the undersigned. M. F. M.''. According to \cite[pp. 128--129]{Simoes:2000:QCG}, Douglas Hartree had written to John C. Slater in 1939, expressing his concern about a coming war in Europe, and wanting to ensure that SCF data for completed calculations should not be lost. Slater responded that the results should be sent to him at MIT, checked, and published in The Physical Review.", ZBmath = "3042621", } @Article{Hartree:1940:SCFb, author = "William Hartree and D. R. Hartree and Millard F. Manning", title = "Self-consistent field calculations for {Ge$^{++}$} and {Ge}", journal = j-PHYS-REV, volume = "59", number = "3", pages = "306--307", month = feb, year = "1940", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.59.306", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.59.306", ZMnumber = "0027.04304", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", ZBmath = "3042622", } @TechReport{Hartree:1941:NES, author = "D. R. Hartree", title = "On the non-existence of a steady state in a single-anode cylindrical magnetron under certain conditions'", type = "C.V.D.Report Mag.", number = "6", institution = "????", address = "????", month = sep, year = "1941", bibdate = "Wed Aug 09 11:56:29 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 68/6/79/D.9.", URL = "https://discovery.nationalarchives.gov.uk/details/r/28633967-3e15-4623-99d1-8247cb198674", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1941:SCF, author = "William Hartree and D. R. Hartree and Millard F. Manning", title = "Self-consistent field, with exchange, for {Si IV} and {Si V}", journal = j-PHYS-REV, volume = "60", number = "12", pages = "857--865", month = dec, year = "1941", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.60.857", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.60.857", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", } @TechReport{Hartree:1941:SSC, author = "D. R. Hartree", title = "The steady state of a cylindrical magnetron under conditions of space-charge limitation", type = "C. V. D. Report Mag.", number = "1", institution = "????", address = "????", day = "22", month = apr, year = "1941", bibdate = "Wed Aug 09 11:50:17 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference: CSAC 68/6/79/D.5.", URL = "https://discovery.nationalarchives.gov.uk/details/r/5ee0db12-89f3-4c8a-bb3d-a7b7b38431ec", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @TechReport{Hartree:1942:CTB, author = "D. R. Hartree", title = "The calculation of the transient behaviour of single-anode cylindrical magnetrons under gradually-applied anode potentials'", type = "C. V. D. Report Mag.", number = "23", institution = "????", address = "????", month = nov, year = "1942", bibdate = "Wed Aug 09 11:52:24 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 68/6/79/D.14.", URL = "https://discovery.nationalarchives.gov.uk/details/r/97e40eb7-76b7-44fa-89ed-f892f90465c9", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @TechReport{Hartree:1942:MPR, author = "D. R. Hartree", title = "A method of plotting results of calculations of electron orbits in a magnetron, and its application to the determination of the emission, anode current, and charge and potential distribution", type = "C. V. D. Report Mag.", number = "18", institution = "????", address = "????", month = jul, year = "1942", bibdate = "Wed Aug 09 11:52:24 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference: CSAC 68/6/79/D.13", URL = "https://discovery.nationalarchives.gov.uk/details/r/9b5ed595-cbd1-41f3-8074-e8a4cb0cab9c", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @TechReport{Hartree:1943:PRO, author = "D. R. Hartree", title = "Preliminary report on operating conditions for unstrapped magnetrons derived from a criterion for the instability of the single stream steady state", type = "C. V. D. Report Mag.", number = "31", institution = "????", address = "????", month = may, year = "1943", bibdate = "Wed Aug 09 11:52:24 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 68/6/79/D.18.", URL = "https://discovery.nationalarchives.gov.uk/details/r/43d39303-3814-423f-a720-e7ef7c7f73fc", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1943:TFK, author = "D. R. Hartree", title = "The {Thirth-Fourth Kelvin Lecture}: Mechanical integration in electrical problems", journal = j-J-INST-ELECTR-ENG, volume = "90", number = "34", pages = "435--442", month = oct, year = "1943", CODEN = "IEJGAB", DOI = "https://doi.org/10.1049/ji-1.1943.0082", ISSN = "0367-7559 (print), 2054-0582 (electronic)", ISSN-L = "0367-7559", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Kelvin lecture to the Institution of Electrical Engineers.", URL = "https://digital-library.theiet.org/content/journals/10.1049/ji-1.1943.0082", acknowledgement = ack-nhfb, ajournal = "J. Inst. Electrical Engineers", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of the Institution of Electrical Engineers", journal-URL = "https://digital-library.theiet.org/content/journals/jiee-1", xxCODEN = "JISEAL", xxISSN = "0368-2692 (print), 2054-0574 (electronic)", xxissn-l = "0368-2692", } @Article{Jackson:1944:VHF, author = "R. Jackson and R. J. Sarjant and J. B. Wagstaff and Nicholas R. Eyres and D. R. Hartree and J. Ingham", title = "Variable heat flow in steel", journal = "Journal of the Iron and Steel Institute", volume = "150", number = "??", pages = "211--267", day = "??", month = "????", year = "1944", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", journal-URL = "https://onlinebooks.library.upenn.edu/webbin/serial?id=jironsteelinst", remark = "Check author order. Journal publication ceased in 1973: no CODEN or ISSN data", } @Article{Eyres:1946:CVH, author = "Nicholas R. Eyres and Douglas Rayner Hartree and John Ingham and R. J. Sarjant and J. B. Wagstaff", title = "The calculation of variable heat flow in solids", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A, volume = "240", number = "813", pages = "1--57", day = "2", month = aug, year = "1946", CODEN = "PTRMAD, PTMSFB", DOI = "https://doi.org/10.1098/rsta.1946.0002", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", MRclass = "65.0X", MRnumber = "18982", MRreviewer = "R. V. Churchill", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://royalsocietypublishing.org/toc/rsta1934/1946/240/813", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Transactions of the Royal Society of London. Series A. Mathematical and Physical Sciences", journal-URL = "http://rsta.royalsocietypublishing.org/", } @InCollection{Hartree:1946:ADA, author = "D. R. Hartree", booktitle = "Proceedings of the {First Canadian Mathematics Congress, Montreal}, 1945", title = "The application of the differential analyser to the evaluation of solutions of partial differential equations", publisher = "University of Toronto Press", address = "Toronto, ON, Canada", pages = "327--337", year = "1946", MRclass = "65.0X", MRnumber = "20010", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", ZMnumber = "0061.29601", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", ZBmath = "3101399", } @Book{Hartree:1946:CMR, author = "D. R. Hartree", title = "Calculating Machines. {Recent} and Prospective Developments and Their Impact on Mathematical Physics", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, pages = "40 + 2", year = "1946", MRclass = "65.0X", MRnumber = "20009", MRreviewer = "P. W. Ketchum", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", ZMnumber = "0061.29705", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", ZBmath = "3101415", } @Article{Hartree:1946:EECa, author = "D. R. Hartree", title = "The {ENIAC}, an electronic calculating machine", journal = j-NATURE, volume = "157", number = "3990", pages = "527--527", day = "20", month = apr, year = "1946", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/157527a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1946Natur.157..527H; https://www.nature.com/articles/157527a0", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", remark = "See also longer, post-visit, report \cite{Hartree:1946:EECg}.", } @Article{Hartree:1946:EECb, author = "D. R. Hartree", title = "The {ENIAC}, an electronic computing machine", journal = j-NATURE, volume = "158", number = "4015", pages = "500--506", day = "12", month = oct, year = "1946", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/158500a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", MRclass = "65.0X", MRnumber = "18978", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1946Natur.158..500H", ZMnumber = "0061.29707", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", remark = "This is a longer, post-visit, report of \cite{Hartree:1946:EECa}.", ZBmath = "3101417", } @Article{Hartree:1947:CAS, author = "D. R. Hartree", title = "The calculation of atomic structures", journal = j-REP-PROG-PHYS, volume = "11", number = "1", pages = "113--143", month = jan, year = "1947", CODEN = "RPPHAG", DOI = "https://doi.org/10.1088/0034-4885/11/1/305", ISSN = "0034-4885 (print), 1361-6633 (electronic)", ISSN-L = "0034-4885", MRclass = "65.0X", MRnumber = "37080", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Appendix on page 143 has corrections and editions to \cite{Swirles:1935:RSC}.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Reports on Progress in Physics", journal-URL = "http://iopscience.iop.org/0034-4885", } @Misc{Hartree:1947:CCM, author = "D. R. Hartree", title = "Copy of Calculating Machines", howpublished = "UK National Archives papers", year = "1947", bibdate = "Wed Aug 09 12:12:02 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Hartree's Inaugural address as Plummer Professor of Mathematical Physics, Cambridge. Reference CSAC 45.9.76/14.", URL = "https://discovery.nationalarchives.gov.uk/details/r/170047ef-454d-41e8-bb56-36ac967c4281", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Hartree:1947:CMR, author = "Douglas R. (Douglas Rayner) Hartree", title = "Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics, Inaugural Lecture", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, pages = "40", year = "1947", LCCN = "QA85 .H25c", bibdate = "Mon Nov 4 07:46:57 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", ZMnumber = "0029.27301", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", keywords = "computers", remark = "Reprinted in volume VI of the Charles Babbage Institute Reprint Series for the History of Computing, MIT Press and Tomash Publishing, 1984.", ZBmath = "3046032", } @Misc{Hartree:1947:MTL, author = "D. R. Hartree", title = "{A. M. Turing}'s lectures on {ACE}", howpublished = "World-Wide Web document", year = "1947", bibdate = "Mon Nov 21 07:52:47 2005", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/t/turing-alan-mathison.bib", URL = "http://turing.ecs.soton.ac.uk/browse.php/B/2", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "Seven Lectures given on Thursday afternoons in December 1946 and January 1947. These notes are from lectures six and seven.", } @InProceedings{Hartree:1947:PMS, author = "D. R. Hartree and S. G. L. Michel and P. Nicolson", booktitle = "Meteorological Factors in Radio-wave Propagation: Reports on Meteorological Effect in Radio Propagation", title = "Practical methods for the solution of the equations of tropospheric refraction", publisher = "Physical Society and Royal Meteorological Society, Great Britain", address = "London, UK", pages = "127--168", year = "1947", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Phyllis Nicolson (1 September 1917--6 October 1968)", remark = "Check author order.", } @Article{Hartree:1947:RDCa, author = "D. R. Hartree", title = "Recent developments in calculating machines", journal = j-J-SCIENT-INSTR, volume = "24", number = "7", pages = "172--176", month = jul, year = "1947", CODEN = "JSINAY", DOI = "https://doi.org/10.1088/0950-7671/24/7/302", ISSN = "0368-4253, 0950-7671", ISSN-L = "0368-4253", MRclass = "65.0X", MRnumber = "21712", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1947JScI...24..172H", ZMnumber = "0032.21604", acknowledgement = ack-nhfb, ajournal = "J. Sci. Instruments", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of Scientific Instruments", journal-URL = "https://iopscience.iop.org/journal/0950-7671", ZBmath = "3049830", } @Article{Hartree:1947:RDCb, author = "D. R. Hartree", title = "Recent developments in calculating machines", journal = "{Handel, v.h. XXXe Nederlandisch Natur--en Geneeskundig Congres, Delft}", volume = "??", number = "??", pages = "??--??", day = "??", month = "????", year = "1947", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Nederlandse Natuur--en Geneeskundig Congres", remark = "No online archive found, not in ISSN portal, not in CASSI.", } @Article{Hartree:1947:RDCc, author = "D. R. Hartree", title = "Recent developments in calculating machines", journal = "Journal of the Institution of Electrical Engineers, Part 2: Power Engineering", volume = "95", number = "??", pages = "225--226", month = "????", year = "1947", CODEN = "IEJPA4", ISSN = "0367-7567 (print), 2054-0590 (electronic)", ISSN-L = "0367-7567", bibdate = "Tue Aug 15 17:21:23 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://momot.rs/d1/y/1692186042/124/i/scimag/2/10.1049/ji-2.1948.0059.pdf~/9nLKhh7cjPnREHZ8ysUdag/recent-developments-in-calculating-machines-7th-of--annas-archive.pdf", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", journal-URL = "http://ieeexplore.ieee.org/servlet/opac?punumber=5308791", remark = "No reliable online journal archives found, but 2-page PDF found in faraway place at URL.", } @Article{Hartree:1947:RPD, author = "D. R. Hartree", title = "Recent and prospective developments in large digital calculating machines", journal = "Journal of the Royal Naval Scientific Service", volume = "??", number = "??", pages = "??--??", day = "??", month = jul, year = "1947", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "J. Roy. Naval Sci. Service", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "No online archives yet found. A few volumes marked ``Classified'', but then later marked as approved for release, have been located online, and it appears that 1947 would be volume 2. The journal is not found in the ISSN portal, or in CASSI. The UK COPAC catalog records the year 1945, and 1965--1974 only.", } @Article{Cope:1948:LBLa, author = "W. F. Cope and D. R. Hartree", title = "The laminar boundary layer in compressible flow", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A, volume = "241", number = "827", pages = "1--69", day = "22", month = jun, year = "1948", CODEN = "PTRMAD, PTMSFB", DOI = "https://doi.org/10.1098/rsta.1948.0008", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", MRclass = "76.1X", MRnumber = "25857", MRreviewer = "C. C. Lin", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", ZMnumber = "0041.54205", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Transactions of the Royal Society of London. Series A. Mathematical and Physical Sciences", journal-URL = "http://rsta.royalsocietypublishing.org/", ZBmath = "3063789", } @Article{Cope:1948:LBLb, author = "W. F. Cope and D. R. Hartree", title = "The laminar boundary layer in compressible flow", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "241", number = "827", pages = "1--69", month = jun, year = "1948", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1948.0008", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", } @Article{Hartree:1948:DCM, author = "D. R. Hartree and M. H. A. Newman and Maurice V. Wilkes and F. C. Williams and James H. Wilkinson and A. D. Booth", title = "A discussion on computing machines", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "195", number = "1042", pages = "265--287 (2 plates)", day = "22", month = dec, year = "1948", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1948.0118", ISSN = "0962-8444 (print), 2053-9177 (electronic)", ISSN-L = "0962-8444", MRclass = "65.0X", MRnumber = "28103", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/babbage-charles.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/w/wilkinson-james-hardy.bib", URL = "https://ui.adsabs.harvard.edu/abs/1948RSPSA.195..265H", ZMnumber = "0031.12904", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society. London. Series A. Mathematical, Physical and Engineering Sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", keywords = "Analytical Engine; Charles Babbage; ENIAC; IBM automatic sequence-controlled calculator; IBM Selective Sequence Electronic Calculator", remark = "Hartree notes that while Babbage's Analytical Engine design base-10 arithmetic on 50-digit numbers, a binary base greatly simplifies arithmetic operations. He also reports that it is essential that intermediate results can be kept inside the machine for later use, without human interaction.", tableofcontents = "A Historical Survey of Digital Computing Machines / D. R. (Douglas Rayner) Hartree, F.R.S. / 265--271 / https://doi.org/10.1098/rspa.1948.0118 \\ General principles of the design of all-purpose computing machines / M. H. A. (Maxwell Herman Alexander) Newman, F.R.S. / 271--274 / https://doi.org/10.1098/rspa.1948.0129 \\ The design of a practical high-speed computing machine. The EDSAC / M. V. (Maurice Vincent) Wilkes / 274--279 / https://doi.org/10.1098/rspa.1948.0130 \\ A Cathode-Ray Tube Digit Store / F. C. (Frederic Calland) Williams / 279--284 / https://doi.org/10.1098/rspa.1948.0131 \\ The automatic computing engine at the National Physical Laboratory / J. H. (James Hardy) Wilkinson / 285--286 / https://doi.org/10.1098/rspa.1948.0132 \\ Recent computer projects / A. D. (Andrew Donald) Booth / 286--286 / https://doi.org/10.1098/rspa.1948.0133", ZBmath = "3048293", } @Article{Hartree:1948:EA, author = "D. R. Hartree", title = "Experimental arithmetic", journal = "Eureka", volume = "??", number = "10", pages = "13--??", day = "??", month = "????", year = "1948", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/fparith.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1948:FAL, author = "D. R. Hartree and S. Johnston", title = "On a function associated with the logarithmic derivative of the gamma function", journal = j-QUART-J-MECH-APPLIED-MATH, volume = "1", number = "1", pages = "29--34", month = jan, year = "1948", CODEN = "QJMMAV", DOI = "https://doi.org/10.1093/qjmam/1.1.29", ISSN = "0033-5614 (print), 1464-3855 (electronic)", ISSN-L = "0033-5614", MRclass = "65.0X", MRnumber = "25800", MRreviewer = "J. C. P. Miller", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", URL = "https://academic.oup.com/qjmam/article/1/1/29/1883490", ZMnumber = "0035.07903", abstract = "The function $ \psi (k) - \log k + 1 / 2 k $ is real for real positive $k$, and complex for pure imaginary $k$, its imaginary part being then given by a simple formula. Its real part, considered as a function of $ 1 / k^2$, varies smoothly through $ 1 / k^2 = 0$, and is a convenient auxiliary function to use for interpolation purposes; it is also required in connexion with the tabulation of the confluent hypergeometric function.\par The real part of $ \psi (k) - \log k + 1 / 2 k$ has been evaluated, and is tabulated, as a function of $ 1 / k^2$ for the range $ 1 / k^2$ --- 1.00(0.01) + 1.00, to 8 decimals.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Quarterly Journal of Mechanics and Applied Mathematics", journal-URL = "http://qjmam.oxfordjournals.org/content/by/year", keywords = "psi function", received = "17 October 1947", ZBmath = "3053457", } @Article{Hartree:1948:HSD, author = "D. R. Hartree", title = "A historical survey of digital computing machines", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "195", number = "1042", pages = "265--271", day = "22", month = dec, year = "1948", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1948.0118", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/w/wilkinson-james-hardy.bib", note = "Section on A discussion on computing machines, with contributions by M. H. A. Newman, Maurice V. Wilkes, F. C. Williams, James H. Wilkinson, and A. D. Booth", abstract = "In opening the discussion Professor M. H. A. Newman said that it would be confined to machines which are {\em automatic}, i.e. require no human intervention at any stage; {\em digital}, i.e. such that separate digits of each number are stored in the machine at every stage (in contrast to `analogue' machines such as the Differential Analyzer where the numbers are represented by directly measured physical quantities, e.g. lengths); and {\em general-purpose\/} machines, i.e. machines able without modification to carry out any of a wide variety of computing jobs.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", xxpages = "265--287 (2 plates)", } @Article{Hartree:1948:SCF, author = "D. R. Hartree and William Hartree", title = "Self-consistent field, with exchange, for nitrogen and sodium", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "193", number = "1034", pages = "299--304", month = jul, year = "1948", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1948.0047", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Published after the death of William Hartree (in 1943).", URL = "https://ui.adsabs.harvard.edu/abs/1948RSPSA.193..299H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", } @Article{Hartrei:1948:EEC, author = "D. R. Hartre{\u{\i}}", title = "The {ENIAC}, an electronic computing machine", journal = "Uspekhi Matematicheskikh Nauk (N.S.)", volume = "3", number = "5(27)", pages = "146--158", year = "1948", ISSN = "0042-1316 (print), 2305-2872 (electronic)", ISSN-L = "0042-1316", MRclass = "65.0X", MRnumber = "27182", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://mathscinet.ams.org/mathscinet-getitem?mr=27182; https://www.mathnet.ru/eng/rm/v3/i5/p146; https://www.mathnet.ru/eng/rm8760", acknowledgement = ack-nhfb, ajournal = "Uspehi Matem. Nauk (N.S.)", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Akademiya Nauk SSSR i Moskovskoe Matematicheskoe Obshchestvo. Uspekhi Matematicheskikh Nauk", journal-URL = "https://www.mathnet.ru/php/archive.phtml?jrnid=rm&wshow=contents1&option_lang=eng", } @InCollection{Hartree:1949:CBA, author = "Douglas R. (Douglas Rayner) Hartree", title = "{Charles Babbage} and the {Analytical Engine}", crossref = "Hartree:1949:CIM", pages = "??--??", year = "1949", bibdate = "Tue Jun 19 06:41:01 2018", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/babbage-charles.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/adabooks.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Hartree:1949:DAM, author = "D. R. Hartree", title = "The Differential Analyser: Monograph", volume = "17", publisher = "Ministry of Supply, Permanent Records of Research and Development", address = "London, UK", pages = "502--??", year = "1949", bibdate = "Fri Aug 04 06:51:40 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1949:MCM, author = "D. R. Hartree", title = "Modern calculating machines", journal = j-ENDEAVOUR, volume = "8", number = "30", pages = "??--??", day = "??", month = "????", year = "1949", CODEN = "ENDEAS", ISSN = "0160-9327 (print), 1873-1929 (electronic)", ISSN-L = "0160-9327", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Endeavour", journal-URL = "http://www.sciencedirect.com/science/journal/01609327", } @Article{Hartree:1949:NIP, author = "D. R. Hartree", title = "Notes on iterative processes", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "45", number = "2", pages = "230--236", month = apr, year = "1949", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100024762", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.0X", MRnumber = "29268", MRreviewer = "E. Bodewig", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", note = "Correction: in equation (29) at the bottom of page 233, replace the denominator term $ 2 y_0 $ by $ 2 y_1 $, matching the denominator in equation (32) on page 234.", URL = "https://ui.adsabs.harvard.edu/abs/1949PCPS...45..230H", ZMnumber = "0033.19003", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", keywords = "$1/p$-th root; iterative process; reciprocal square root; square root", ZBmath = "3051117", } @Article{Hartree:1949:NSR, author = "D. R. Hartree", title = "Note On Systematic Roundoff Errors in Numerical Integration", journal = j-J-RES-NATL-BUR-STAND-1934, volume = "42", number = "1", pages = "62--62", month = jan, year = "1949", DOI = "https://doi.org/10.6028/jres.042.005", ISSN = "0091-0635 (print), 2376-5305 (electronic)", ISSN-L = "0091-0635", bibdate = "Wed Feb 14 19:07:37 2007", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/fparith.bib", note = "Appendix to Harry D. Huskey, \booktitle{On the Precision of a Certain Procedure of Numerical Integration}, 42(1) 57--62 (1949). Hartree shows that a small stepsize in numerical integration of a differential equation can produce biased rounding errors of the same sign that accumulate over the computation.", URL = "https://nvlpubs.nist.gov/nistpubs/jres/42/jresv42n1p57_A1b.pdf", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of Research of the National Bureau of Standards (1934)", journal-URL = "https://www.nist.gov/nist-research-library/journal-research-nist/past-papers", } @Book{Hartree:1949:SEL, author = "D. R. Hartree", title = "The Solution of the Equations of the Laminar Boundary Layer for {Schubauer}'s Observed Pressure Distribution for an Elliptic Cylinder", number = "2427", publisher = "Aeronautical Research Council, Ministry of Supply", address = "London, UK", pages = "30", year = "1949", MRclass = "76.1X", MRnumber = "32315", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", series = "", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "This report is mentioned in \cite[p. 197]{SwirlesJeffreys:1987:DRH}", xxnote = "Check: Aeronautical Research Council, or Aeronautical Research Committee??", } @Book{Hartree:1949:SLB, author = "D. R. Hartree", title = "A Solution of the Laminar Boundary-layer Equation for Retarded Flow", number = "2426", publisher = "Aeronautical Research Council, Ministry of Supply", pages = "27", year = "1949", MRclass = "76.1X", MRnumber = "32314", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", series = "", abstract = "London, UK", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "This report is mentioned in \cite[p. 197]{SwirlesJeffreys:1987:DRH}", xxnote = "Check: Aeronautical Research Council, or Aeronautical Research Committee??", } @Article{Hartree:1949:TBF, author = "D. R. Hartree", title = "The tabulation of {Bessel} functions for large argument", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "45", number = "4", pages = "554--557", month = oct, year = "1949", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100025251", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.0X", MRnumber = "33179", MRreviewer = "J. C. P. Miller", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", URL = "https://ui.adsabs.harvard.edu/abs/1949PCPS...45..554H", ZMnumber = "0034.38001", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3053054", } @Article{Hartree:1950:ACM, author = "D. R. Hartree", title = "Automatic calculating machines", journal = j-MATH-GAZ, volume = "34", number = "310", pages = "241--252 (4 plates)", month = dec, year = "1950", CODEN = "MAGAAS", DOI = "https://doi.org/10.2307/3611023", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", MRclass = "65.0X", MRnumber = "38721", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Also in German translation \cite{Hartree:1951:ARG}.", ZMnumber = "0039.34402", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "The Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", ZBmath = "3059875", } @Book{Hartree:1950:CIM, author = "Douglas R. (Douglas Rayner) Hartree", title = "Calculating Instruments and Machines", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, pages = "ix + 138", year = "1950", LCCN = "B 4 248 631", bibdate = "Mon Nov 4 07:46:57 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", note = "Reprint, with minor revisions, of \cite{Hartree:1949:CIM}.", ZMnumber = "0037.36105", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", keywords = "calculators; mathematical instruments", tableofcontents = "1. Introduction \\ 2. The differential analyser \\ 3. The differential analyser and partial differential equations \\ 4. Some other instruments \\ 5. Introduction to large automatic digital machines \\ 6. Charles Babbage and the analytical engine \\ 7. The first stage of development \\ 8. Projects and prospects \\ 9. High-speed automatic digital machines and numerical analysis \\ References \\ Names index \\ Subject index", ZBmath = "3057101", } @Article{Hartree:1950:MNI, author = "D. R. Hartree", title = "A method for the numerical integration of first-order differential equations", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "46", number = "3", pages = "523--524", month = jul, year = "1950", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100026050", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.0X", MRnumber = "38730", MRreviewer = "H. O. Hartley", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1950PCPS...46..523H", ZMnumber = "0036.20601", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3055202", } @Article{Hartree:1950:SCT, author = "D. R. Hartree", title = "Some calculations of transients in an electronic valve", journal = j-APPL-SCI-RES-SECT-B, volume = "B1", pages = "379--390", month = dec, year = "1950", CODEN = "ASRBAC", DOI = "https://doi.org/10.1007/BF02919956", ISSN = "0365-7140 (print), 1872-8065 (electronic)", ISSN-L = "0365-7140", MRclass = "78.0X", MRnumber = "34253", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Applied Scientific Research, Section B", journal-URL = "http://link.springer.com/journal/volumesAndIssues/12380", received = "17 October 1949", xxyear = "1949", } @Article{Hartree:1951:ARG, author = "D. R. Hartree", title = "{Automatische Rechenmaschinen}. ({German}) [{Automatic} calculators]", journal = j-Z-ANGE-MATH-MECH, volume = "31", number = "1--2", pages = "1--12", month = jan # "\slash " # feb, year = "1951", CODEN = "ZAMMAX", DOI = "https://doi.org/10.1002/zamm.19510310102", ISSN = "0044-2267 (print), 1521-4001 (electronic)", ISSN-L = "0044-2267", MRclass = "65.0X", MRnumber = "40062", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "German translation of \cite{Hartree:1950:ACM}.", URL = "https://ui.adsabs.harvard.edu/abs/1951ZaMM...31....1H", ZMnumber = "0042.13404", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Zeitschrift f{\"u}r Angewandte Mathematik und Mechanik. Ingenieurwissenschaftliche Forschungsarbeiten", journal-URL = "http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1521-4001", language = "German", ZBmath = "3064507", } @InCollection{Hartree:1951:F, author = "D. R. Hartree", title = "Foreword", crossref = "Wilkes:1951:PPE", pages = "v--v", month = jan, year = "1951", bibdate = "Thu Aug 17 09:34:31 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @InCollection{Hartree:1951:SUP, author = "D. R. Hartree", booktitle = "Problems for the numerical analysis of the future", title = "Some unsolved problems of numerical analysis", number = "15", publisher = pub-US-GPO, address = pub-US-GPO:adr, bookpages = "iv + 21", pages = "1--9", year = "1951", MRclass = "65.0X", MRnumber = "42782", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "One of four papers. Other contributions in the volume are by S. Lefschetz, Bernard Friedman, and George B. Dantzig.", series = "Applied Mathematics", ZMnumber = "0045.21901", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", xxtitle = "Some unsolved problems in numerical analysis", ZBmath = "3070104", } @Article{Hartree:1952:ACM, author = "D. R. Hartree", title = "Automatic calculating machines and their potential application in the office", journal = "Office Management Association Journal", volume = "??", number = "??", pages = "??--??", day = "??", month = aug, year = "1952", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Office Management Assoc. J.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Hartree:1952:NA, author = "D. R. Hartree", title = "Numerical Analysis", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xiv + 287", year = "1952", MRclass = "65.0X", MRnumber = "52871", MRreviewer = "P. W. Ketchum", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/fparith.bib", note = "See also second edition \cite{Hartree:1958:NA}.", ZMnumber = "0049.35905", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark-1 = "No online tableofcontents data could found for the first edition, but a physical volume borrowed from a library allowed a scan to PDF with OCR and data recovery.", remark-2 = "From the preface: ``I have tried to give prominence to the importance of checking in numerical work. Mistakes can occur in such work, and it follows that some process of checking is necessary to ensure that any results obtained are not vitiated by undetected mistakes. A treatment of numerical methods which does not pay some attention to this aspect of the subject seems to me to be quite unrealistic. In some worked examples I have deliberately introduced mistakes in order to show how, by suitable checking procedure, they can be detected, diagnosed, and corrected.''", shorttableofcontents = "I. Introduction / 1 \\ II. The Tools of Numerical Work and How to Use Them / 11 \\ III. Evaluation of Formulae / 27 \\ IV. Finite Differences / 34 \\ V. Interpolation / 60 \\ VI. Integration (Quadrature) and Differentiation / 95 \\ VII. Integration of Ordinary Differential Equations \\ VIII. Simultaneous Linear Algebraic Equations and Matrices / 150 \\ IX. Non-Linear Algebraic Equations / 190 \\ X. Functions of Two or More Variables / 214 \\ XI. Miscellaneous Processes / 239 \\ XII. Organization of Calculations for an Automatic Machine / 255 \\ Index / 284", tableofcontents = "I. Introduction / 1 \\ 1.1. What numerical analysis is about / 1 \\ 1.2. The main types of problems in numerical analysis/ 4 \\ 1.3. Errors, mistakes, and checking / 5 \\ 1.4. Arrangement of work / 8 \\ 1.5. Accuracy and precision / 9 \\ \\ II. The Tools of Numerical Work and How to Use Them / 11 \\ 2.1. The main tools of numerical work / 11 \\ 2.2. Desk machines / 11 \\ 2.21. Addition and subtraction / 14 \\ 2.22. Transfer from accumulator to setting keys or levers / 15 \\ 2.23. Multiplication / 16 \\ 2.24. Division / 17 \\ 2.25. Other calculations / 19 \\ 2.26. Adding machines / 19 \\ 2.3. Mathematical tables / 20 \\ 2.31. Critical tables / 21 \\ 2.32. Auxiliary variables in tables / 22 \\ 2.4. Slide rule / 23 \\ 2.5. Graph paper / 24 \\ 2.6. Other machines / 24 \\ 2.7. The organization of a calculation / 25 \\ \\ III. Evaluation of Formulae / 27 \\ 3.1. The significance of formulae in numerical work / 27 \\ 3.2. Evaluation of polynomials / 29 \\ 3.3. Evaluation of power series / 30 \\ 3.4. Kinds of formulae to avoid / 31 \\ 3.5. Evaluation of a function in the neighbourhood of a value of the argument at which it becomes indeterminate / 33 \\ \\ IV. Finite Differences / 34 \\ 4.1. Functions of a continuous variable in numerical analysis / 34 \\ 4.2. Finite differences / 36 \\ 4.21. Notation for finite differences / 37 \\ 4.3. Finite differences in terms of function values / 39 \\ 4.4. Simple applications of differences / 40 \\ 4.41. Differences of a polynomial / 40 \\ 4.42. Building up polynomials / 42 \\ 4.43. Checking by differences / 44 \\ 4.44. Effect of rounding errors on differences / 47 \\ 4.45. Direct evaluation of second differences / 48 \\ 4.46. Building up from second differences / 49 \\ 4.5. Differences and derivatives / 50 \\ 4.6. Finite difference operators / 51 \\ 4.7. Examples of the use of finite difference operators / 55 \\ 4.71. Derivatives in terms of differences / 56 \\ 4.72. Negative powers of $(U/\delta)$ / 56 \\ 4.73. $\delta^2 f$ in terms of $f''$ and its differences / 57 \\ 4.74. $\delt f_{1/2}$ symmetrically in terms of $f'$ and its differences at $x_0$ and $x_1$ / 58 \\ 4.75. $\mu \delta f$, in terms of $f'$ and its differences at $x = x_0$ / 58 \\ \\ V. Interpolation / 60 \\ 5.1. Linear and non-linear interpolation / 60 \\ 5.11. Linear interpolation / 61 \\ 5.2. Non-linear interpolation / 62 \\ 5.21. Half-way interpolation / 62 \\ 5.22. Newton's forward-difference formula / 64 \\ 5.3. Some expansions / 65 \\ 5.4. Everett's interpolation formula / 67 \\ 5.41. Bessel's interpolation formula / 68 \\ 5.42. Use of Bessel's and Everett's formulae / 70 \\ 5.43. Practical details for non-linear interpolation / 72 \\ 5.5. Lagrange's formula / 74 \\ 5.51. Special interpolation methods for particular functions / 76 \\ 5.6. Subtabulation / 77 \\ 5.61. Method of bridging differences / 79 \\ 5.7. Interpolation of a function given at unequal intervals of the argument / 83 \\ 5.71. Evaluation of Lagrange's interpolation formula by a sequence of linear cross-means / 84 \\ 5.72. Divided differences / 87 \\ 5.8. Inverse interpolation / 90 \\ 5.81. How not to do inverse interpolation / 92 \\ 6.9. Truncation errors in interpolation formulae / 94 \\ VI. Integration (Quadrature) and Differentiation / 95 \\ 6.1. Definite and indefinite integrals, and the integration of differential equations / 95 \\ 6.2. Integration formula in terms of integrand and its differences / 96 \\ 6.21. An alternative derivation / 97 \\ 6.22. Integration formula in terms of the integrand and the differences of its derivative / 98 \\ 6.23. Integration formula in terms of the integrand and its derivatives / 99 \\ 6.3. Integration over more than one interval / 99 \\ 6.4. Evaluation of an integral as a function of its upper limit / 101 \\ 6.41. Change of interval length in an integration / 104 \\ 6.42. Integration in the neighbourhood of a singularity of the integrand / 106 \\ 6.43. Integration when the integrand increases `exponentially' / 108 \\ 6.5. Intervals between fixed limits / 109 \\ 6.51. Gregory's formula / 110 \\ 6.52. Integral in terms of function values / 111 \\ 6.53. User of Simpson's or Weddle's rules / 111 \\ 6.54. The integral $\int_0^\infty e^{-x^2} \, dx$ / 111 \\ 6.55. Evaluation of a definite integral when the integrand has a singularity / 113 \\ 6.56. Definite integrals which are functions of & parameter / 113 \\ 6.57. Use of unequal intervals of the independent variables / 115 \\ 6.6. Numerical differentiation / 116 \\ 6.61. Differentiation formulae / 118 \\ 6.62. Graphical differentiation / 120 \\ 6.7. Errors of interpolation and integration formulae / 121 \\ 6.71. Use of formulae for the error / 124 \\ \\ VII. Integration of Ordinary Differential Equations \\ 7.1. Step-by-step methods / 125 \\ 7.11. One-point and two-point boundary conditions / 125 \\ 7.2. Second-order equation with first derivative absent / 126 \\ 7.21. Change of the interval of integration / 130 \\ 7.22. Variants of the method / 132 \\ 7.3. First-order differential equations / 133 \\ 7.31. Another method for a first-order equation / 135 \\ 7.32. Second-order equation with the first derivative present / 136 \\ 7.33. Equations of order higher than the second / 137 \\ 7.4. Taylor series method / 137 \\ 7.5. Other procedures / 139 \\ 7.51. Richardson's `deferred approach to the limit' / 139 \\ 7.52. Iterative processes / 141 \\ 7.6. Two-point boundary conditions / 143 \\ 7.61. Iterative quadrature / 144 \\ 7.62. Characteristic value problems / 146 \\ 7.7. Further notes on numerical integration of ordinary differential equations / 147 \\ 7.71. The Madelung transformation / 148 \\ 7.72. The Riccati transformation / 148 \\ \\ VIII. Simultaneous Linear Algebraic Equations and Matrices / 150 \\ 8.1. Direct and indirect methods for simultaneous linear equations / 150 \\ 8.11. Matrices / 152 \\ 8.12. Ill-conditioned equations / 152 \\ 8.13. Normal equations / 155 \\ 8.2. Elimination / 155 \\ 8.21. General elimination process / 157 \\ 8.22. Evaluation of a solution by elimination / 159 \\ 8.23. Alternative arrangement of the elimination process / 162 \\ 8.3. Inverse of a matrix by elimination / 162 \\ 8.4. Choleski's method / 164 \\ 8.41. inverse of a matrix by Choleski's method / 167 \\ 8.5. Relaxation method / 167 \\ 8.51. Group relaxations / 170 \\ 8.52. Use and limitations of the relaxation method / 171 \\ 8.53. Linear differential equations and linear simultaneous equations / 178 \\ 8.6. Characteristic values and vectors of a matrix / 178 \\ 8.61. Iterative method for evaluation of characteristic values and characteristic vectors of a symmetrical matrix / 180 \\ 8.62. An alternative process / 180 \\ 8.63. Richardson's purification process for characteristic vectors / 182 \\ 8.7. Relaxation process for characteristic vectors / 182 \\ IX. Non-Linear Algebraic Equations / 190 \\ 9.1. Solution of algebraic equations / 190 \\ 9.2. Graphical methods / 190 \\ 9.3. Iterative processes / 191 \\ 9.31. Examples of iterative processes / 196 \\ 9.32. Derivation of a second-order process from a first-order process / 197 \\ 9.4. Multiple roots and neighbouring roots / 197 \\ 9.5. Special processes for special types of equations / 198 \\ 9.51. Quadratic equations / 200 \\ 9.52. Cubic and quartic equations / 200 \\ 9.53. Polynomial equations / 200 \\ 9.54. Repeated roots / 201 \\ 9.55. Division of a polynomial by a quadratic / 201 \\ 9.56. Real quadratic factors of a polynomial / 203 \\ 9.57. Second-order process for improving the approximation to a quadratic factor / 205 \\ 9.6. Simultaneous non-linear equations / 207 \\ 9.7. Three or more variables / 212 \\ \\ X. Functions of Two or More Variables / 214 \\ 10.1. Functions of a complex variables and functions of two variables / 214 \\ 10.11. Numerical calculations with complex numbers / 214 \\ 10.2. Finite differences in two dimensions; square grid / 215 \\ 10.3. The operator $\partial^2 /\partial x^2 + \partial^2/\partial y^2$ / 217 \\ 10.31. Special relations when $\partial^2 f / \partial x^2 + \partial^2 f / \partial y^2 = 0$ / 218 \\ 10.4. Finite differences in cylindrical coordinates / 219 \\ 10.5. Partial differential equations / 221 \\ 10.6. Elliptic equations / 223 \\ 10.61. Relaxation process / 224 \\ 10.62. Reducing the mesh size / 228 \\ 10.63. Further notes on the relaxation process / 230 \\ 10.64. Richardson--Liebmann process for Laplace's equation / 232 \\ 10.7. Parabolic equations / 232 \\ 10.71. Replacement of the second-order (space) derivative by a finite difference / 233 \\ 10.72. Replacement of the first-order (time) derivative by a finite difference / 233 \\ 10.73. Replacement of both derivatives by finite differences / 235 \\ 10.74. Note on methods for parabolic equations / 236 \\ 10.8. Hyperbolic equations. Characteristics / 236\\ 10.81. Finite differences between characteristics / 238 \\ \\ XI. Miscellaneous Processes / 239 \\ 11.1. Summation of series / 239 \\ 11.11. Euler's transformation for a slowly convergent series of terms of alternate signs / 240 \\ 11.12. Use of the Euler--Maclaurin integration formula in the summation of series / 241 \\ 11.2. Harmonic analysis / 247 \\ 11.3. Recurrence relations for a sequence of functions / 246 \\ 11.4. Smoothing / 247 \\ 11.41. Automatic methods of smoothing / 249 \\ 11.42. Smoothing by use of an auxiliary function / 251 \\ \\ XII. Organization of Calculations for an Automatic Machine / 255 \\ 12.1. Automatic digital calculating machines / 255 \\ 12.2, Preparation of calculations for an automatic digital calculating machine / 258 \\ 12.3. Flow diagrams / 259 \\ 12.4. Coding / 261 \\ 12.5. Examples of programming and coding / 263 \\ 12.6. Form of instructions on the input tape / 267 \\ 12.7. Sub-routines / 269 \\ 12.8. Hand and automatic calculation / 271 \\ Examples / 274 \\ Bibliography / 280 \\ Index / 284", ZBmath = "3078040", } @Article{Ullrich:1952:BCI, author = "Egon Ullrich", title = "{Besprechung: \booktitle{Calculating Instruments and Machines}, von D. R. Hartree}", journal = j-Z-NATURFORSCH-A-ASTROPHYS-PHYS-PHYS-CHEM, volume = "7", pages = "448--448", month = jan, year = "1952", CODEN = "ZENAAU", DOI = "https://doi.org/10.1515/zna-1952-0613", ISSN = "0044-3166", ISSN-L = "0044-3166", bibdate = "Sat Aug 5 06:02:15 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1952ZNatA...7..448H; https://www.degruyter.com/document/doi/10.1515/zna-1952-0613/html", acknowledgement = ack-nhfb, fjournal = "{Zeitschrift f{\"u}r Naturforschung Teil A: Astrophysik, Physik, und Physikalische Chemie}", journal-URL = "https://www.degruyter.com/journal/key/zna/html", language = "German", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Hartree:1953:CIM, author = "Douglas R. (Douglas Rayner) Hartree", title = "Calculating Instruments and Machines", publisher = pub-U-ILL, address = pub-U-ILL:adr, pages = "ix + 138", year = "1953", LCCN = "QA85 .H29", bibdate = "Mon Nov 4 07:46:57 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", keywords = "calculators; mathematical instruments", } @Article{Hartree:1954:EDI, author = "D. R. Hartree", title = "The evaluation of a diffraction integral", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "50", number = "4", pages = "567--574", month = oct, year = "1954", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100029686", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.0X", MRnumber = "64486", MRreviewer = "John\ Todd", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1954PCPS...50..567H", ZMnumber = "0056.35401", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3090518", } @Book{Wilkes:1954:IPA, author = "Maurice V. Wilkes and D. Wheeler and Stanley Gill", title = "Introduction to Programming for an Automatic Digital Calculating Machine and Users' Guide to the {EDSAC}: a Supplement to {{\booktitle{The Preparation of Programs for an Electronic Digital Computer}}}", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, year = "1954", bibdate = "Sat Aug 05 15:49:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Part I by D. R. Hartree. Part II edited by E. N. Mutch.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Douglas:1955:AWF, author = "A. S. Douglas and D. R. Hartree and W. A. Runciman", title = "Atomic wave functions for gold and thallium", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "51", number = "3", pages = "486--503", month = jul, year = "1955", CODEN = "PCPSA4", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1955:AWF, author = "D. R. Hartree", title = "Approximate wave functions, with exchange for {Mn$^{+2}$}", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "51", number = "1", pages = "126--130", month = jan, year = "1955", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100030000", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.0X", MRnumber = "66755", MRreviewer = "A. Erd\'{e}lyi", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1955PCPS...51..126H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1955:IAW, author = "D. R. Hartree", title = "The interpolation of atomic wave functions", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "51", number = "4", pages = "684--692", month = oct, year = "1955", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100030759", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1955PCPS...51..684H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Article{Hartree:1956:AWF, author = "D. R. Hartree", title = "Approximate wave functions for some atoms of the first long period", journal = j-J-OPT-SOC-AM, volume = "46", number = "5", pages = "350--353", day = "1", month = may, year = "1956", CODEN = "JOSAAH", DOI = "https://doi.org/10.1364/JOSA.46.000350", ISSN = "0030-3941", ISSN-L = "0030-3941", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://opg.optica.org/josa/fulltext.cfm?uri=josa-46-5-350; https://ui.adsabs.harvard.edu/abs/1956JOSA...46..350H", acknowledgement = ack-nhfb, ajournal = "J. Opt. Soc. Amer.", author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Journal of the Optical Society of America", journal-URL = "http://www.osapublishing.org/josa/browse.cfm", } @Article{Hartree:1956:SNA, author = "D. R. Hartree", title = "Session on Numerical Analysis {II}: Introduction", journal = "Proceedings of the {IEE --- Part B: Radio and Electronic Engineering}", volume = "103", number = "1S", pages = "149--150", month = apr, year = "1956", CODEN = "????", DOI = "https://doi.org/10.1049/pi-b-1.1956.0033", ISSN = "2050-2656 (print), 2054-0434 (electronic)", ISSN-L = "2050-2656", bibdate = "Mon Aug 7 09:44:39 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", journal-URL = "https://digital-library.theiet.org/content/journals/pi-b-1", remark = "Address delivered 10 April 1956. PDF at DOI is blurry and difficult to read. Journal was published only from 1955--1958, and is not in the US Library of Congress catalog.", } @Article{Froese:1957:WFN, author = "Charlotte Froese and D. R. Hartree", title = "Wave functions for the normal states of {Ne$^{+3}$} and {Ne$^{+4}$}", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "53", number = "3", pages = "663--668", month = jul, year = "1957", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100032734", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "81.99", MRnumber = "128906", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", } @Book{Goodwin:1957:MNA, editor = "E. T. (Eric Thomson) Goodwin and D. R. Hartree and Leslie Fox", title = "Monographs on Numerical Analysis", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "????", year = "1957", LCCN = "????", bibdate = "Sat Aug 05 15:55:34 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "WorldCat shows only three library holdings, and no page range, table of contents, or LCCN data have been found. Digitized in Google Books archive, but no snippets are available.", } @Book{Hartree:1957:CAS, author = "Douglas R. Hartree", title = "The Calculation of Atomic Structures", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xiii + 181", year = "1957", MRclass = "81.0X", MRnumber = "90408", MRreviewer = "P.-O. L{\"o}wdin", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Based on lectures given under the auspices of the William Pyle Philips Fund of Haverford College, 1955.", ZMnumber = "0079.21401", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", remark = "Co-published by Chapman \& Hall, Ltd., London.", ZBmath = "3130133", } @InCollection{Hartree:1957:VAW, author = "D. R. Hartree", booktitle = "International conference on current problems in crystal physics. {Massachusetts Institute of Technology, Cambridge, Mass., July 1--5}", title = "The variation of atomic wave functions with atomic number", publisher = pub-MIT, address = pub-MIT:adr, pages = "47--65", year = "1957", MRclass = "81.0X", MRnumber = "85922", MRreviewer = "C. Froese", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1958:MNI, author = "D. R. Hartree", title = "A method for the numerical integration of the linear diffusion equation", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "54", number = "2", pages = "207--213", year = "1958", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/s0305004100033351", ISSN = "0008-1981", ISSN-L = "0008-1981", MRclass = "65.00", MRnumber = "97158", MRreviewer = "J. Schr{\"o}der", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1958PCPS...54..207H", ZMnumber = "0080.33305", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", ZBmath = "3132211", } @Book{Hartree:1958:NA, author = "Douglas R. Hartree", title = "Numerical Analysis", publisher = pub-OXFORD, address = pub-OXFORD:adr, edition = "Second", pages = "xvi + 302", year = "1958", MRclass = "65.00", MRnumber = "100335", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/subjects/acc-stab-num-alg.bib; https://www.math.utah.edu/pub/tex/bib/fparith.bib", note = "See also first edition \cite{Hartree:1952:NA}.", ZMnumber = "0082.11902", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", shorttableofcontents = "I: Introduction \\ II: The Tools of Numerical Work and How to Use Them \\ III: Evaluation of Formulae \\ IV: Finite Differences \\ V: Interpolation \\ VI: Integration (Quadrature) and Differentiation \\ VII: Integration of Ordinary Differential Equations \\ VIII: Simultaneous Linear Algebraic Equations and Matrices \\ IX: Non-Linear Algebraic Equations \\ X: Functions of Two or More Variables \\ XI: Miscellaneous Processes \\ XII: Organization of Calculations for an Automatic Machine \\ Bibliography \\ Index", tableofcontents = "Preface to the Second Edition (Cavendish Laboratory Cambridge October 1957) \\ \\ Preface to the First Edition (Cavendish Laboratory Cambridge May 1952) \\ \\ I: Introduction \\ 1.1. What numerical analysis is about \\ 1.2. The main types of problems in numerical analysis \\ 1.3. Errors, mistakes and checking \\ 1.4. Arrangement of work \\ 1.5. Accuracy and precision \\ II: The Tools of Numerical Work and How to Use Them \\ 2.1. The main tools of numerical work \\ 2.2. Desk machines \\ 2.21. Addition and subtraction \\ 2.22. Transfer from accumulator to setting keys or levers \\ 2.23. Multiplication \\ 2.24. Division \\ 2.25. Other calculations \\ 2.26. Adding machines \\ 2.3. Mathematical tables \\ 2.4. Slide rule \\ 2.5. Graph paper \\ 2.6. Other machines \\ III: Evaluation of Formulae \\ 3.1. The significance of formulae in numerical work \\ 3.2. Evaluation of polynomials \\ 3.3. Evaluation of power series \\ 3.4. Kinds of formulae to avoid \\ 3.5. Evaluation of a function in the neighbourhood of a value of the argument at which it becomes indeterminate \\ IV: Finite Differences \\ 4.1. Functions of a continuous variable in numerical analysis \\ 4.2. Finite differences \\ 4.21. Notation for finite differences \\ 4.3. Finite differences in terms of function values \\ 4.4. Simple applications of differences \\ 4.41. Differences of a polynomial \\ 4.42. Building up of polynomials \\ 4.43. Checking by differences \\ 4.44. Effect of rounding errors on differences \\ 4.45. Direct evaluation of second differences \\ 4.46. Building up from second differences \\ 4.5. Differences and derivatives \\ 4.6. Finite difference operators \\ 4.7. Examples of the use of finite difference operators \\ 4.71. Derivatives in terms of differences \\ 4.72. Negative powers of ($U/\delta$) \\ 4.73. $\delta^2 f$ in terms of $f''$ and its differences \\ 4.74. $\delta f_{1/2}$ symmetrically in terms of $f'$ and its differences at $x_0$ and $x_1$ \\ 4.75. $\mu \delta f_0$ in terms of $f'$ and its differences at $x = x_0$ \\ V: Interpolation \\ 5.1. Linear and non-linear interpolation \\ 5.11. Linear interpolation \\ 5.2. Non-linear interpolation \\ 5.21. Half-way interpolation \\ 5.22. Newton's forward-difference formula \\ 5.3. Some expansions \\ 5.4. Everett's interpolation formula \\ 5.41. Bessel's interpolation formula \\ 5.42. Use of Bessel's and Everett's formulae \\ 5.43. Practical details in non-linear interpolation \\ 5.5. Lagrange's formula \\ 5.51. Special interpolation methods for particular functions \\ 5.6. Subtabulation \\ 5.61. End-figure method for subtabulation \\ 5.7. Interpolation of a function given at unequal intervals of the argument \\ 5.71. Evaluation of Lagrange's interpolation formula by a sequence of linear cross-means \\ 5.72. Divided differences \\ 5.8. Inverse interpolation \\ 5.81. How not to do inverse interpolation \\ 5.9. Truncation errors in interpolation formulae \\ 5.91. Whittaker's cardinal function \\ VI: Integration (Quadrature) and Differentiation \\ 6.1. Definite and indefinite integrals, and the integration of differential equations \\ 6.2. Integration formula in terms of integrand and its differences \\ 6.21. An alternative derivation \\ 6.22. Integration formula in terms of the integrand and the differences of its derivative \\ 6.23. Integration formula in terms of the integrand and a its derivatives (Euler-Maclaurin formula) \\ 6.3. Integration over more than one interval \\ 6.4. Evaluation of an integral as a function of its upper limit \\ 6.41. Change of interval length in an integration \\ 6.42. Integration in the neighbourhood of a singularity of the integrand \\ 6.43. Integration when the integrand increases 'exponentially' \\ 6.44. Two-fold integration \\ 6.5. Integrals between fixed limits \\ 6.51. Gregory's formula \\ 6.52. Integral in terms of function values \\ 6.53. Use of Simpson's or Weddle's rules \\ 6.54. Integrations of functions for which $f(2n + 1)(x) = 0$ at both ends of the range of integration \\ 6.55. Evaluation of a definite integral when the integrand has a singularity \\ 6.56. Definite integrals which are functions of a parameter \\ 6.6. Use of unequal intervals of the independent variables \\ 6.61. Gaussian integration formulae \\ 6.62. Gaussian formulae for $\inf_0^\infty e-{kxp2n + 1}(x)\,dx$ \\ 6.7. Numerical differentiation \\ 6.71. Differential formulae \\ 6.72. Graphical differentiation \\ 6.8. Errors of interpolation and integration formulae \\ 6.81. Use of formulae for the error \\ VII: Integration of Ordinary Differential Equations \\ 7.1. Step-by-step methods \\ 7.11. One-point and two-point boundary conditions \\ 7.2. Second-order equation with first derivative absent \\ 7.21. Change of the interval of integration \\ 7.22. Variants of the method \\ 7.23. Numerov's method \\ 7.3. First-order differential equations \\ 7.31. Another method for a first-order equation \\ 7.32. First-order linear equations \\ 7.33. Second-order equation with the first derivative present \\ 7.34. Equations of order higher than the second \\ 7.4. Taylor series method \\ 7.5. Other procedures \\ 7.51. Richardson's 'deferred approach to the limit' \\ 7.52. Iterative processes \\ 7.53. The Madelung transformation \\ 7.54. The Riccati transformation \\ 7.6. Two-point boundary conditions \\ 7.61. Iterative quadrature \\ 7.62. Linear equations with two-point boundary conditions \\ 7.63. Factorization method \\ 7.64. Characteristic value problems \\ VIII: Simultaneous Linear Algebraic Equations and Matrices \\ 8.1. Direct and indirect methods for simultaneous linear equations \\ 8.11. Matrices \\ 8.12. Ill-conditioned equations \\ 8.13. Normal equations \\ 8.2. Elimination \\ 8.21. General elimination process \\ 8.22. Evaluation of a solution by elimination \\ 8.23. Alternative arrangement of the elimination process \\ 8.3. Inverse of a matrix by elimination \\ 8.4. Choleski's method \\ 8.41. Inverse of a matrix by Choleski's method \\ 8.5. Relaxation method \\ 8.51. Group relaxations \\ 8.52. Use and limitations of the relaxation method \\ 8.6. Linear differential equations and linear simultaneous equations \\ 8.7. Characteristic values and vectors of a matrix \\ 8.71. Iterative method for evaluation of characteristic values and characteristic vectors of a symmetrical matrix \\ 8.72. Richardson's purification process for characteristic vectors \\ 8.73. Relaxation process for characteristic vectors \\ IX: Non-Linear Algebraic Equations \\ 9.1. Solution of algebraic equations \\ 9.2. Graphical methods \\ 9.3. Iterative processes \\ 9.31. Examples of iterative processes \\ 9.32. Derivation of a second-order process from a first-order process \\ 9.4. Multiple roots and neighbouring roots \\ 9.5. Special processes for special types of equations \\ 9.51. Quadratic equations \\ 9.52. Cubic and quartic equations \\ 9.53. Polynomial equations \\ 9.54. Repeated roots \\ 9.55. Division of a polynomial by a quadratic \\ 9.56. Real quadratic factors of a polynomial \\ 9.57. Second-order process for improving the approximation to a quadratic factor \\ 9.6. Simultaneous non-linear equations \\ 9.7. Three or more variables \\ X: Functions of Two or More Variables \\ 10.1. Functions of a complex variable and functions of two variables \\ 10.11. Numerical calculations with complex numbers \\ 10.2. Finite differences in two dimensions; square grid \\ 10.3. The operator $\partial^2 /\partial x^2 + \partial^2/\partial y^2$ \\ 10.31. Special relations when $\partial^2 f / \partial x^2 + \partial^2 f / \partial y^2 = 0$ \\ 10.4. Finite differences in cylindrical coordinates \\ 10.5. Partial differential equations \\ 10.6. Elliptic equations \\ 10.61. Relaxation process \\ 10.62. Reducing the mesh size \\ 10.63. Further notes on the relaxation process \\ 10.64. Richardson-Liebmann process for Laplace's equation \\ 10.7. Parabolic equations \\ 10.71. Replacement of the second-order (space) derivative by a finite difference \\ 10.72. Replacement of the first-order (time) derivative by a finite difference \\ 10.73. Replacement of both derivatives by finite differences \\ 10.74. Note on methods for parabolic equations \\ 10.8. Hyperbolic equations. Characteristics \\ 10.81. Finite differences between characteristics \\ 10.82. Use of given intervals in one independent variable \\ 10.83. Two simultaneous first-order equations \\ XI: Miscellaneous Processes \\ 11.1. Summation of series \\ 11.11. Euler's transformation for a slowly converging series of terms of alternate signs \\ 11.12. Use of the Euler-Maclaurin integration formula in the summation of series \\ 11.2. Harmonic analysis \\ 11.3. Recurrence relations for a sequence of functions \\ 11.4. Smoothing \\ 11.41. Automatic methods of smoothing \\ 11.42. Smoothing by use of an auxiliary function \\ XII: Organization of Calculations for an Automatic Machine \\ 12.1. Automatic digital calculating machines \\ 12.2. Preparation of calculations for an automatic digital calculating machine \\ 12.3. Hand and automatic calculation \\ Examples \\ Bibliography \\ Index", ZBmath = "3134590", } @Misc{Hartree:1958:NTP, author = "D. R. Hartree", title = "Numerical treatment of partial differential equations", howpublished = "UK National Archives papers", pages = "34", year = "1958", bibdate = "Wed Aug 09 12:01:26 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference: CSAC 45.9.76/15", URL = "https://discovery.nationalarchives.gov.uk/details/r/2f43117f-3d13-4825-a729-246c842cbe93", abstract = "Notes for a course of lectures to be given in the University of Cambridge. These were received from Professor M. V. Wilkes whose explanatory note of 2 August 1976 is attached. It runs: 'In the Lent Term 1958, Hartree told me that he was about to go into the Evelyn Nursing Home. He expected to be out in time to give a course of lectures on P.D.E.s that he had announced for the second half of the term, but that he would, as a precaution, like to give me his notes so that I could deputise for him if necessary.\par Hartree collapsed in the street on his way to the Nursing Home and was taken to Addenbrooke's Hospital where he died'", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartree:1958:RET, author = "D. R. Hartree", title = "Representation of the exchange terms in {Fock}'s equations by a quasi-potential", journal = j-PHYS-REV, volume = "109", number = "3", pages = "840--841", month = feb, year = "1958", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.109.840", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.109.840; https://ui.adsabs.harvard.edu/abs/1958PhRv..109..840H", ZMnumber = "0079.43902", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", ZBmath = "3130958", } @Article{Hartree:1958:VAW, author = "D. R. Hartree", title = "Variation of Atomic Wave Functions with Atomic Number", journal = j-REV-MOD-PHYS, volume = "30", number = "1", pages = "63--68", month = jan, year = "1958", CODEN = "RMPHAT", DOI = "https://doi.org/10.1103/RevModPhys.30.63", ISSN = "0034-6861 (print), 1538-4527 (electronic), 1539-0756", ISSN-L = "0034-6861", MRclass = "81.0X", MRnumber = "92626", bibdate = "Tue May 22 16:36:46 MDT 2012", bibsource = "http://rmp.aps.org/toc/RMP/v30/i1; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/revmodphys1950.bib", URL = "http://link.aps.org/doi/10.1103/RevModPhys.30.63; http://rmp.aps.org/abstract/RMP/v30/i1/p63_1; https://ui.adsabs.harvard.edu/abs/1958RvMP...30...63H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Reviews of Modern Physics", journal-URL = "http://rmp.aps.org/browse", } @Article{Hartree:1960:RCD, author = "D. R. Hartree", title = "The radial charge densities for the {Ti$^{+2}$} argon core", journal = j-PROC-CAMBRIDGE-PHIL-SOC, volume = "56", number = "2", pages = "174--175", month = apr, year = "1960", CODEN = "PCPSA4", DOI = "https://doi.org/10.1017/S0305004100034411", ISSN = "0008-1981", ISSN-L = "0008-1981", bibdate = "Thu Aug 03 17:31:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1960PCPS...56..174H", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", fjournal = "Proceedings of the Cambridge Philosophical Society. Mathematical and physical sciences", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", remark = "Published posthumously.", } @Book{Hartree:1984:CMRa, author = "D. R. Hartree", title = "Calculating Machines: {Recent} and Prospective Developments and Their Impact on Mathematical Physics, {\rm and} Calculating Instruments and Machines", volume = "6", publisher = pub-MIT, address = pub-MIT:adr, pages = "xvi + 40; viii + 138 + 3", year = "1984", ISBN = "0-262-08147-4", ISBN-13 = "978-0-262-08147-4", LCCN = "QA85 .H3 1984; QA76.95; QA85 .H3 1984", bibdate = "Sat Jan 12 22:42:35 MST 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/subjects/acc-stab-num-alg.bib; https://www.math.utah.edu/pub/tex/bib/adabooks.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib; library.mit.edu:9909/mit01; library.ox.ac.uk:210/ADVANCE; z3950.libris.kb.se:210/libr; z3950.nls.uk:7290/voyager", note = "With a new introduction by Maurice V. Wilkes. Reprint (1st work). Originally published: Cambridge, England: University Press, 1947. Reprint (2nd work). Originally published: Urbana: University of Illinois Press, 1949.", series = "Charles Babbage Institute Reprint Series for the History of Computing", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", keywords = "calculators; computers; mathematical instruments", mynote = "Inaugural lecture dated 1947 (CUP) and book dated 1949 (Univ. Illinois Press).", remark = "Calculating machines originally published: Cambridge: Cambridge University Press, 1947. Calculating instruments and machines originally published: Urbana University of Illinois Press, 1949.", subject = "Calculating machines; Computers; Mathematical instruments", xxaddress = "Los Angeles, CA, USA", xxpages = "xvi + 138", xxpages = "xvi + 40 + viii + 138 + [3]", xxpublisher = "Tomash Publishers", } @Book{Hartree:1984:CMRb, author = "Douglas R. Hartree", title = "Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics, and Calculating Instruments and Machines", volume = "6", publisher = "Tomash Publishers", address = "Los Angeles, CA, USA", pages = "xviii + 40 and x + 138", year = "1984", ISBN = "0-262-08147-4", ISBN-13 = "978-0-262-08147-4", MRclass = "01A75 (00A69)", MRnumber = "824241", bibdate = "Thu Aug 3 09:15:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reprint of the 1947 and 1949 originals, with an introduction by Maurice V. Wilkes.", series = "The Charles Babbage Institute Reprint Series for the History of Computing", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRa, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: correspondence and papers", howpublished = "Christ's College Library archives, Cambridge University, Cambridge, UK", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76 and NRA 20490 Hartree.", URL = "https://discovery.nationalarchives.gov.uk/details/r/1356458a-cf10-4e05-a140-b6e8c5a2f5c3; https://discovery.nationalarchives.gov.uk/details/r/N13830852", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRb, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: working papers", howpublished = "University of Manchester Library, Manchester, UK", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference NRA 33014 NAHC.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRc, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: correspondence with {Niels Bohr} (1928--1947)", howpublished = "Niels Bohr Archive, Blegdamsvej 17, Copenhagen, Denmark, DK-2100", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/bohr-niels.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference NRA 33014 NAHC.", URL = "https://www.nbarchive.dk/", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRd, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: correspondence with {William Hume-Rothery} (1932--1934)", howpublished = "Bodleian Library, Special Collections, Oxford University, Oxford, UK", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference NRA 17174.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRe, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: correspondence with {Fritz London} (1928--1936)", howpublished = "William R Perkins Library, Duke University, Manuscript Department, Durham, NC 27706, USA", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://discovery.nationalarchives.gov.uk/details/a/A13531231", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:HDRf, author = "D. R. Hartree", title = "{Hartree, Douglas Rayner}, (1897--1958), mathematical physicist: correspondence with {E. C. Stoner} (1930--1958)", howpublished = "The Brotherton Library, University of Leeds, Woodhouse Lane, Leeds, England LS2 9JT, UK", year = "19xx", bibdate = "Mon Aug 07 14:17:08 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "NRA 17735,", URL = "https://discovery.nationalarchives.gov.uk/details/a/A13533122", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:ITC, author = "D. R. Hartree", title = "Introduction and typescript: {Chapters I--III} of projected book on differential equations", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://discovery.nationalarchives.gov.uk/details/r/9182e258-6bc7-4485-9657-6ef768b2ae91", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Chapter I: How differential equations arise in scientific and technical problems \\ Chapter II: Introductory concepts \\ Chapter III: First-order linear equations", } @Misc{Hartree:19xx:IWM, author = "D. R. Hartree", title = "Introduction to Wave Mechanics", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:08:42 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Drafts of uncompleted book", URL = "https://discovery.nationalarchives.gov.uk/details/r/0174f4cc-b660-4daa-80a8-708a6bcb186f", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Chapter 2: Particles and Waves \\ Chapter 6: Momentum and Moment of Momentum \\ Chapter 9: Many-particle systems \\ Chapter 13: Relativity and wave mechanics", } @Misc{Hartree:19xx:MBCa, author = "D. R. Hartree and Bertha Swirles", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:14:02 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Extensively-revised manuscript and typescript drafts for projected book on `Mechanics' in 2 vols.: `Statics' and `Dynamics', to be written by Hartree in collaboration with Dr. Bertha Swirles (now Lady Jeffreys) and published by Cambridge University Press. The book was not completed.", URL = "https://discovery.nationalarchives.gov.uk/details/r/43c821e9-17c3-4872-bb6d-1df97266619e", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", } @Misc{Hartree:19xx:MBCb, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/2. Chapter 2. Vectors.", URL = "https://discovery.nationalarchives.gov.uk/details/r/857825fa-cf2e-47c6-891f-dc934f2d0027", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCc, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:14:02 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/3. Chapter 3: Kinematics of a Particle.", URL = "https://discovery.nationalarchives.gov.uk/details/r/97082ab8-a3f5-4086-b205-e3bfca5950f6", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCd, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/4. Chapter 4: Laws of Motion", URL = "https://discovery.nationalarchives.gov.uk/details/r/2d18bfb0-81a9-4e69-9da6-ad1c4fd54a0a", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCe, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/5. Chapter 5: Special Cases of rectilinear motion of a particle", URL = "https://discovery.nationalarchives.gov.uk/details/r/dff8651f-b924-467c-8bac-afc18a321391", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCf, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/6. Chapter 6: Special Motions of a Particle in Two Dimensions", URL = "https://discovery.nationalarchives.gov.uk/details/r/06e21bd7-c533-4adf-8b7c-49e3a45de417", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCg, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/7. Chapter 8: Localised Vectors, Moments, Vector Products", URL = "https://discovery.nationalarchives.gov.uk/details/r/ed817b28-3a35-43ed-90b5-8f89e5691481", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCh, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/8. Chapter 9: Motion of a System of Particles", URL = "https://discovery.nationalarchives.gov.uk/details/r/a5c845b6-16ca-4148-87a1-47d9d1b9e7ca", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCi, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:05:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/9. Chapter 11: The Kinematics of a Rigid Body in Two Dimensions. Later renumbered as Chapters 12 and 13.", URL = "https://discovery.nationalarchives.gov.uk/details/r/db233d2c-f961-45cd-8366-9a6d79388310", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Hartree:19xx:MBCj, author = "D. R. Hartree", title = "Mechanics [book chapter draft]", howpublished = "UK National Archives papers", year = "19xx", bibdate = "Wed Aug 09 12:14:02 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference CSAC 45.9.76/10. Chapter 12: The Dynamics of a Rigid Body in Two Dimensions", URL = "https://discovery.nationalarchives.gov.uk/details/r/a8f6d59d-ed7d-419d-a2d8-b481b729379d", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Hartree:2012:CIM, author = "Douglas R. Hartree", title = "Calculating Instruments and Machines", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, year = "2012", ISBN = "1-107-63065-7 (paperback)", ISBN-13 = "978-1-107-63065-9 (paperback)", MRclass = "01A75, 68-03, 68Q05, 65-03", bibdate = "Sat Aug 5 11:08:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/babbage-charles.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reprint of \cite{Hartree:1950:CIM}.", URL = "https://www.cambridge.org/us/universitypress/subjects/mathematics/historical-mathematical-texts/calculating-instruments-and-machines", ZMnumber = "1250.01026", abstract = "Originally published in 1950, this book was based on a short series of lectures given by the author at the University of Illinois in 1948. Aimed at the non-specialist, the chief aim of the text was to provide a general introduction to contemporary developments in the field of calculating instruments and machines. But there is some treatment of the historical side of the subject, with appreciation shown for the vision and foresight of key pioneers Charles Babbage and Lord Kelvin. This is a concise and informative volume that will be of value to anyone with an interest in the development and history of computation.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "1. Introduction \\ 2. The differential analyser \\ 3. The differential analyser and partial differential equations \\ 4. Some other instruments \\ 5. Introduction to large automatic digital machines \\ 6. Charles Babbage and the analytical engine \\ 7. The first stage of development \\ 8. Projects and prospects \\ 9. High-speed automatic digital machines and numerical analysis \\ References \\ Names index \\ Subject index", ZBmath = "6093528", }

%%% ==================================================================== %%% Part 2 (of 3): Publications about Douglas Hartree and his works %%% %%% Entries that refer to Hartree or his works (a large number of %%% articles with Hartree or Hartree--Fock in the title appear in the %%% physics literature, and have mostly been ignored here). However, %%% entries up to about 1960 with Hartree in titles ARE included here, %%% because they laid the groundwork for the understanding of his %%% methods. From roughly that time, electronic computers became %%% available to scientists, and the count of publications crediting %%% Hartree increased dramatically. %%% %%% Several of the entries here that do not mention Hartree in their %%% titles were returned by the Royal Society journal Web site in a %%% search for ``Douglas Rayner Hartree''.

@PhdThesis{Lindsay:1924:AMAa, author = "Robert Bruce Lindsay", title = "On the Atomic Models of the Alkali-metals", type = "{Ph.D.} thesis", school = "Massachusetts Institute of Technology", address = "Cambridge, MA, USA", year = "1924", bibdate = "Wed Sep 06 14:50:13 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/pqdtglobal/docview/301789148", acknowledgement = ack-nhfb, advisor = "H. B. Phillips", remark = "No electronic copy is available, and ProQuest is missing metadata for advisor, day, department, month, and page count. The advisor is thanked in the last three lines of \cite{Lindsay:1924:AMAb}. The MIT Library catalog is not accessible to non-MIT members.", } @Article{Lindsay:1924:AMAb, author = "Robert Bruce Lindsay", title = "On the Atomic Models of the Alkali Metals", journal = j-J-MATH-PHYS-MIT, volume = "3", number = "4", pages = "191--236", month = may, year = "1924", CODEN = "JMPHA9", DOI = "https://doi.org/10.1002/sapm192434191", ISSN = "0097-1421", ISSN-L = "0097-1421", bibdate = "Sat Aug 19 13:35:42 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jmathphysmit.bib", URL = "https://onlinelibrary.wiley.com/doi/epdf/10.1002/sapm192434191", acknowledgement = ack-nhfb, ajournal = "J. Math. Phys. (MIT)", fjournal = "Journal of Mathematics and Physics (MIT)", journal-URL = "http://onlinelibrary.wiley.com/journal/10.1111/(ISSN)1467-9590", onlinedate = "May 1924", remark-1 = "From the title footnote: ``This memoir was submitted in partial fulfillment of the requirement for the degree of Doctor of Philosophy from the Massachusetts Institute of Technology in April, 1924.''", remark-2 = "This thesis is believed to be the origin of the idea of a ``self-consistent field'' method of computation in quantum theory, so successfully exploited by Douglas Rayner Hartree (27 March 1897--12 February 1958) and in tens of thousands of reports, journal articles, and books since the 1920s.", remark-3 = "The journal articles carries no mention of received and accepted dates. However, this paper appeared 4 years BEFORE Douglas Hartree's visit to Copenhagen where Hartree proposed the idea of a ``self-consistent field''. This paper has four mentions of Hartree, with literature references to entries Hartree:1923:CNU and Hartree:1923:ASR. It is not yet clear whether Lindsay initiated contact with Hartree before the latter's 1928 visit to Copenhagen.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Introduction / 191 \\ I. Method of Calculation / 197 \\ II. The Lithium Atom / 207 \\ III. The Sodium Atom / 208 \\ IV. The Potassium Atom / 212 \\ V. The Rubidium Atom / 215 \\ VI. The Caesium Atom / 218 \\ VII. Summary of Sections I--VI with Discussion of Results / 221 \\ VIII. Diagrams of the Orbits / 230 \\ IX. Fixed Phase Relations in the Sodium Atom / 232 \\ X. The Polarization Effect in Lithium and Sodium / 236 \\ Acknowledgments / 236", } @Article{Lindsay:1924:U, author = "Robert Bruce Lindsay", title = "[unknown]", journal = "Publications of the Massachusetts Institute of Technology", volume = "II", number = "??", pages = "20--??", year = "1924", bibdate = "Sat Aug 12 05:53:31 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Possibly republished in \cite{Anonymous:2022:PMI}.", URL = "https://en.wikipedia.org/wiki/Robert_Bruce_Lindsay", acknowledgement = ack-nhfb, remark = "In this paper, Lindsay introduced the idea of a self-consistent field (SCF). He and his wife Rachel spent 1922--1923 at the Bohr Institute in Copenhagen, and while there, they translated the Bohr theory book by Kramer and Holst from Danish to English (see entry Kramers:1923:ABT in bohr-niels.bib). Hartree later collaborated with Lindsay at Brown University in Providence, RI (see \cite[pp. viii, 29--31]{FroeseFischer:2003:DRH}). Lindsay's SCF idea may have been Bohr Institute folklore that Hartree first learned of during his time there six years later, in 1928--1929.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Swirles:1926:PAC, author = "Bertha Swirles", title = "The Polarisabilities of Atomic Cores", journal = j-MATH-PROC-CAMB-PHILOS-SOC, volume = "23", number = "4", pages = "403--411", month = oct, year = "1926", CODEN = "MPCPCO", DOI = "https://doi.org/10.1017/s030500410001522x", ISSN = "0305-0041 (print), 1469-8064 (electronic)", ISSN-L = "0305-0041", bibdate = "Thu Aug 17 12:55:16 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Mathematical Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "26 July 1926", received = "1 July 1926", remark-1 = "See \cite{SwirlesJeffreys:1987:DRH} for the background of this work, which formed forms part of her doctoral dissertation \cite{Swirles:1928:SAT}.", remark-2 = "From the conclusion: ``In conclusion, I wish to express my thanks to Mr R. H. Fowler and Mr D. R. Hartree for their help and criticism during the course of this work, and to the Board of Scientific and Industrial Research for a grant which enabled me to pursue this course of research.''", remark-3 = "Related research is reported in entry Unsold:1926:TSG, which was submitted six months before this paper, but neither was then aware of the other's work.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Unsold:1926:TSG, author = "Albrecht Uns{\"o}ld", title = "{{\"U}ber die Termgro{\ss} en der Serienspektren}. ({German}) [{On} the term sizes of the series spectra]", journal = j-Z-PHYSIK, volume = "36", number = "2", pages = "92--100", month = feb, year = "1926", CODEN = "ZEPYAA", DOI = "https://doi.org/10.1007/bf01380126", ISSN = "0044-3328", bibdate = "Thu Aug 17 13:05:06 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://link.springer.com/article/10.1007/BF01380126", abstract = "Die Quantendefekte der nicht eindringenden Bahnen werden f{\"u}r die Elemente der drei ersten Spalten des periodischen Systems auf Grund der Vorstellung berechnet, da{\ss} das Leuchtelektron im Atomrumpf einen Dipol induziert. Die Polarisierbarkeit der Atomr{\"u}mpfe wird nach der klassisehen Dispersionstheorie berechnet; als Anzahl der Dispersionselektronen wird angenommen: 1 bei den Erdalkalien, 2 bei den Erden und 6 bei den Alkalien.", abstract-en = "The quantum defects of the nonpenetrating orbits are calculated for the elements of the first three columns of the periodic table based on the idea that the luminous electron induces a dipole in the atomic core. The polarizability of the atomic cores is calculated according to the classic theory of dispersion; the number of dispersion electrons is assumed to be: 1 for the alkaline earths, 2 for the earths and 6 for the alkalis.", acknowledgement = ack-nhfb, author-dates = "Albrecht Otto Johannes Uns{\"o}ld (20 April 1905--23 September 1995)", fjournal = "{Zeitschrift f{\"u}r Physik}", journal-URL = "http://link.springer.com/journal/218", language = "German", received = "13 January 1926", remark = "Related research is reported in entry Swirles:1926:PAC, which was submitted six months after this paper, but neither was then aware of the other's work. Uns{\"o}ld has references on page 95 to two works by Ralph Howard Fowler in 1922 and 1925, but no mention of Douglas Hartree.", } @Article{Fowler:1927:BRM, author = "Ralph H. Fowler", title = "Book Review: {{\booktitle{The Mechanics of the Atom}}, by Max Born. Translated by J. W. Fisher, and revised by D. R. Hartree}", journal = j-MATH-GAZ, volume = "13", number = "190", pages = "428--429", month = oct, year = "1927", CODEN = "MAGAAS", DOI = "https://doi.org/10.1017/S0025557200134059", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Mon Oct 17 13:47:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/born-max.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; JSTOR database", URL = "http://www.jstor.org/stable/pdfplus/3602769.pdf", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.m-a.org.uk/jsp/index.jsp?lnk=620", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Fowler:1927:RMA, author = "Ralph H. Fowler", title = "Review of {{\booktitle{The Mechanics of the Atom}}, by Max Born, J. W. Fisher, and D. R. Hartree}", journal = j-MATH-GAZ, volume = "13", number = "190", pages = "428--429", month = oct, year = "1927", CODEN = "MAGAAS", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3602769", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "Max Born and J. W. Fisher and D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Flint:1928:RMA, author = "H. T. Flint", title = "Review of {{\booktitle{The Mechanics of the Atom}}, by M. Born, J. W. Fisher, and D. R. Hartree}", journal = "Science Progress in the Twentieth Century (1919--1933)", volume = "22", number = "87", pages = "524--524", month = jan, year = "1928", CODEN = "????", ISSN = "2059-4941 (print), 2059-9897 (electronic)", ISSN-L = "2059-4941", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/43432721", acknowledgement = ack-nhfb, journal-URL = "https://www.jstor.org/journal/scienceprogtwenc", remark = "Journal published in London, UK from volume 14, number 53 (1919) to volume 27, number 108 (1933).", reviewed-author = "Max Born and J. W. Fisher and D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Gaunt:1928:THA, author = "J. A. (John Arthur) Gaunt", title = "A Theory of {Hartree}'s Atomic Fields", journal = j-MATH-PROC-CAMB-PHILOS-SOC, volume = "24", number = "2", pages = "328--342", month = apr, year = "1928", CODEN = "MPCPCO", DOI = "https://doi.org/10.1017/s0305004100015851", ISSN = "0305-0041 (print), 1469-8064 (electronic)", ISSN-L = "0305-0041", bibdate = "Fri Aug 11 17:29:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "In a recent communication to this Society Dr Hartree has put forward a method for calculating the field of anatom containing many electrons. Each orbit --- to borrow a metaphor from the old quantum theory --- is related to a wave-function $ \Psi $ which obeys Schr{\"o}dinger's equation. The potential energy used in this equation is due partly to the field of the nucleus, and partly to the fields of the electrons in the other orbits. The latter are calculated upon Schr{\"o}dinger's interpretation of the wave-function, that $ | \Psi |^2 $ is the density of charge, measured in electronic charges per unit volume. It is not the purpose of this paper to discuss the practical methods of obtaining wave-functions which reproduce the fields from which they are derived; but to relate these wave-functions and their energy parameters to those of the accepted theory.", acknowledgement = ack-nhfb, fjournal = "Mathematical Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", read = "27 February 1928", received = "20 February 1928", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Swirles:1928:SAT, author = "Bertha Swirles", title = "Some Applications of the Theory of Perturbations in the Quantum Mechanics", type = "{Ph.D.} dissertation", school = "Faculty of Mathematics, University of Cambridge", address = "Cambridge, UK", pages = "????", year = "1928", bibdate = "Thu Aug 17 10:34:16 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/pqdtglobal/docview/1779976109", acknowledgement = ack-nhfb, advisor = "Ralph Howard Fowler", author-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", remark-1 = "No online copy found at Cambridge, or in ProQuest Dissertations and Theses Global. No page count is recorded in the Cambridge iDiscover or Library Hub Discover catalogs. Card catalog entry 22 November 1928.", remark-2 = "Advisor confirmed from page 190 of entry SwirlesJeffreys:1987:DRH.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dirac:1929:QMM, author = "P. A. M. Dirac", title = "Quantum mechanics of many electron systems", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "123", number = "792", pages = "714--733", day = "6", month = apr, year = "1929", CODEN = "PRLAAZ", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Mon May 16 05:58:31 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/d/dirac-p-a-m.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; Zentralblatt Math database", note = "Russian translation in \cite[Vol. II, pp. 213ff]{Dirac:2003:SNT}.", URL = "http://www.jstor.org/stable/95222", ZMnumber = "55.0528.04", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://rspa.royalsocietypublishing.org/content/current", received = "12 March 1929", remark = "Parts of the first paragraph of this paper have been famously quoted by several others: ``The general theory of quantum mechanics is now almost complete, the imperfections that still remain being in connection with the exact fitting in of the theory with relativity ideas. \ldots{} The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. It therefore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Gaunt:1929:ITH, author = "J. A. (John Arthur) Gaunt", title = "{IV}. {The} triplets of helium", journal = j-PHILOS-TRANS-R-SOC-LOND-A-CONTAIN-PAP-MATH-PHYS-CHARACTER, volume = "228", number = "659-669", pages = "151--196", month = jan, year = "1929", DOI = "https://doi.org/10.1098/rsta.1929.0004", ISSN = "0264-3952 (print), 2053-9258 (electronic)", bibdate = "Thu Aug 17 06:49:26 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/3-j_symbol; https://royalsocietypublishing.org/doi/epdf/10.1098/rsta.1929.0004", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Containing Papers of a Mathematical or Physical Character", journal-URL = "https://royalsocietypublishing.org/loi/rsta", remark = "Page 195 of this paper introduces the famous ``Gaunt coefficients'', integrals of products of three Legendre functions. See \cite[pp. 175ff]{Tinkham:1964:GTQ}", } @Article{Slater:1929:TCS, author = "J. C. Slater", title = "The Theory of Complex Spectra", journal = j-PHYS-REV-2, volume = "34", number = "10", pages = "1293--1322", day = "15", month = nov, year = "1929", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.34.1293", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sun Jul 1 11:06:16 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/d/dirac-p-a-m.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", URL = "http://prola.aps.org/abstract/PR/v34/i10/p1293_1", acknowledgement = ack-nhfb, author-dates = "John Clarke Slater (1900--1976)", fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", received = "7 June 1929", remark = "This paper introduces the famous `Slater determinants', which Slater always called `determinantal wavefunctions', for introducing an easy way to ensure antisymmetry of fermion wavefunctions. On page 1294, Slater writes ``The process of building up wave functions of the proper symmetry by using determinants is not new; it is found in Dirac's earlier papers, and has been used, for example, by Wailer and Hartree. The spin function, however, is introduced into the determinant in the present paper in a new and more satisfactory way. The results which we obtain, concerning the diagonal term of the energy with respect to the antisymmetric wave functions, are of the sort found by the group theory, and also by the recent method of Dirac, but it seems worth while to derive them in a simple fashion.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Fock:1930:NLQ, author = "Vladimir Fock", title = "{N{\"a}herungsmethode zur L{\"o}sung des quantenmechanischen Mehrk{\"o}rperproblems}. ({German}) [{Approximate} method for solving the quantum mechanical many-body problem]", journal = j-Z-PHYSIK, volume = "61", number = "1--2", pages = "126--148", month = jan, year = "1930", CODEN = "ZEPYAA", DOI = "https://doi.org/10.1007/bf01340294", ISSN = "0044-3328", bibdate = "Tue Aug 8 06:27:51 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Presented at the Russian Physico-Chemical Society on 17 December 1929. This paper introduces determinantal wavefunctions to guarantee correct symmetry under particle exchange.", abstract = "Das Variationsprinzip $ \int \delta \bar \Psi (L - E) \Psi \, d \tau = 0 $ ($L$ = Energieoperator) liefert bekanntlich die Wellengleichung im Konfigurationsraum. Es wird gezeigt, da{\ss} der Ansatz $ \Psi = \psi_1 (x_1) \psi_2 (x_2) \ldots {} \psi_N(x_N)$ ($N$ = Anzahl der Elektronen) zu den Gleichungen der Hartreeschen Theorie des ,,selfconsistent field'' f{\"u}hrt, Dieser Ansatz hat aber nicht die richtige Symmetrie. In dem wichtigen Spezialfall der ,,v{\"o}lligen Entartung des Termsystems'' kann aber $ \Psi $ durch ein Produkt zweier Determinanten [Formel (50) des Textes] approximiert werden. Die entsprechende Rechnung wird durchgef{\"u}hrt. Die Gleichungen, die sich f{\"u}r $ \psi_i(x)$ ergeben, enthalten ,,Austauschglieder'' und k{\"o}nnen als Eulersche Gleichungen eines dreidimensionalen Variationsproblems mit der Energie als Wirkungsintegral [Formel (93)] aufgefa{\ss}t werden. Die Gleichungen sind nicht wesentlich komplizierter als die von Hartree, d{\"u}rften aber viel genauere Resultate ergeben. Zum Schlu{\ss} wird eine Formel f{\"u}r die Intensit{\"a}ten angegeben, die Glieder enth{\"a}lt, welche einer ,,Umgruppierung'' der inneren Elektronen bei einem Quantensprung entsprechen.", abstract-en = "As is well known, the variational principle $ \int \delta \bar \Psi (L - E) \Psi \, d \tau = 0 $ ($L$ = energy operator) delivers the wave equation in the configuration space. It is shown that the approach $ \Psi = \psi_1 (x_1) \psi_2 (x_2) \ldots {} \psi_N(x_N)$ ($N$ = number of electrons) to the equations of Hartree's theory of ``self-consistent field'', but this approach does not have the right symmetry. In the important special case of the complete degeneracy of the term system, however, $ \Psi $ can be approximated by a product of two determinants [formula (50) of the text]. The corresponding calculation is carried out. The equations that result for $ \psi_i(x)$ contain ``exchange terms'' and can be interpreted as Euler's equations of a three-dimensional variational problem with the energy as an action integral [formula (93)]. The equations aren't much more complicated than Hartree's, but should give much more accurate results. Finally, a formula for the intensities is given that contains terms that correspond to a ``regrouping'' of the inner electrons in a quantum jump.", acknowledgement = ack-nhfb, fjournal = "{Zeitschrift f{\"u}r Physik}", journal-URL = "http://link.springer.com/journal/218", language = "German", received = "21 February 1930", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Fock:1930:SFA, author = "V. Fock", title = "{,,Selfconsistent field'' mit Austausch f{\"u}r Natrium}. ({German}) [''{Selfconsistent} field'' with substitution for sodium]", journal = j-Z-PHYSIK, volume = "62", number = "11--12", pages = "795--805", month = nov, year = "1930", CODEN = "ZEPYAA", DOI = "https://doi.org/10.1007/bf01330439", ISSN = "0044-3328", bibdate = "Thu Aug 17 11:01:18 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://doi.org/10.1007/bf01330439", acknowledgement = ack-nhfb, fjournal = "{Zeitschrift f{\"u}r Physik}", journal-URL = "http://link.springer.com/journal/218", language = "German", received = "1 May 1930", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Slater:1930:NHM, author = "J. C. Slater", title = "Note on {Hartree}'s Method", journal = j-PHYS-REV-2, volume = "35", number = "2", pages = "210--211", day = "15", month = jan, year = "1930", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.35.210.2", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sun Jul 1 11:06:16 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", URL = "http://prola.aps.org/abstract/PR/v35/i2/p210_2", acknowledgement = ack-nhfb, author-dates = "John Clarke Slater (1900--1976)", fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", received = "19 December 1929", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Bush:1931:DAN, author = "Vannevar Bush", title = "The differential analyzer. {A} new machine for solving differential equations", journal = j-J-FRANKLIN-INST, volume = "212", number = "4", pages = "447--488", month = jul # "\slash " # dec, year = "1931", CODEN = "JFINAB", DOI = "https://doi.org/10.1016/S0016-0032(31)90616-9", ISSN = "0016-0032 (print), 1879-2693 (electronic)", ISSN-L = "0016-0032", bibdate = "Wed Aug 16 11:24:37 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.sciencedirect.com/science/article/abs/pii/S0016003231906169", acknowledgement = ack-nhfb, author-dates = "Vannevar Bush (11 March 1890--28 June 1974)", fjournal = "Journal of {The Franklin Institute}", journal-URL = "http://www.sciencedirect.com/science/journal/00160032", } @Article{Inglis:1931:ERC, author = "David R. Inglis", title = "Energy Relations in Complex Spectra", journal = j-PHYS-REV, volume = "38", number = "5", pages = "862--872", day = "1", month = sep, year = "1931", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/physrev.38.862", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Thu Aug 17 07:11:52 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.38.862", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", remark = "See \cite{Swirles:1935:RSC,SwirlesJeffreys:1987:DRH}.", } @Article{Tamm:1932:AEM, author = "Ig. (Igor Yevgenyevich) Tamm and D. Blochinzev", title = "{{\"U}ber die Austrittsarbeit der Elektronen aus Metallen}. ({German}) [{On} the work function of electrons from metals]", journal = j-Z-PHYSIK, volume = "77", number = "11--12", pages = "774--777", month = nov, year = "1932", CODEN = "ZEPYAA", DOI = "https://doi.org/10.1007/bf01342154", ISSN = "0044-3328", bibdate = "Sat Aug 12 07:51:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "This paper is claimed \cite[p. 6]{Martinez:2016:HFM} to be the first to contain the term ``Hartree--Fock method''. (``Hartree--Focksche Verfahren'' in the original German).", abstract = "Sieht man von der atomistischen Struktur der Metalle ab und benutzt man das Hartree--Focksche Verfahren des ,,,selfconsisted field'', so gelangt man bei der Berechnung der Austrittsarbeit $ \chi $ in erster N{\"a}herung, zu demselben Ergebnis wie nach dem Fermi--Thomasschen Verfahren, n{\"a}mlich da{\ss} die Potential-schwelle an der Metalloberfl{\"a}che gleich der Nullpunktsenergie der Elektronen und da{\ss} somit $ \chi $ gleich Null ist. Berechnet man dagegen nach derselben Methode die Arbeit, die durch die Bildkr{\"a}fte bei der Entfernung eines Elektrons aus dem Metall geleistet wird, so erh{\"a}lt man Werte von $ \chi $, die in einer befriedigenden {\"U}bereinstimmung mit der Erfahrung stehen.", abstract-en = "If one disregards the atomistic structure of the metals and if one uses the Hartree--Fock method of the ''selfconsisted field'', one arrives at first approximation at the calculation of the work function $ \chi $ at the same result as after the Fermi--Thomas method, namely that the potential barrier at the metal surface is equal to the zero-point energy of the electrons and that $ \chi $ is therefore zero. On the other hand, if one calculates the work done by the image forces in removing an electron from the metal using the same method, one obtains values of $ \chi $ that are in satisfactory agreement with experience.", acknowledgement = ack-nhfb, author-dates = "Igor Yevgenyevich Tamm (8 July 1895--12 April 1971)", fjournal = "{Zeitschrift f{\"u}r Physik}", journal-URL = "http://link.springer.com/journal/218", onlinedate = "German", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Cornish:1933:FWT, author = "R. J. Cornish", title = "Flow of water through fine clearances with relative motion of the boundaries", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS, volume = "140", number = "840", pages = "227--240", month = apr, year = "1933", DOI = "https://doi.org/10.1098/rspa.1933.0065", ISSN = "0950-1207 (print), 2053-9150 (electronic)", ISSN-L = "0950-1207", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Anonymous:1934:CMS, author = "Anonymous", title = "Calculating Machine for Simultaneous Equations", journal = j-NATURE, volume = "134", number = "3397", pages = "877--877", day = "8", month = dec, year = "1934", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/134877c0", DOI = "https://www.nature.com/articles/134877c0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Tue Sep 5 14:05:24 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", remark = "Brief (1/4 column) discussion of the Bush (MIT) and Hartree (Manchester) differential analyzers. The article reports: ``A larger model, containing nearly 1,000 pulleys and more than 500 feet of steel tape, has been designed, but is not yet constructed. This will deal with ten variables connected by ten equations, \ldots{}.''", } @Article{Anonymous:1935:DAU, author = "Anonymous", title = "Differential Analyser for the {University of Manchester}", journal = j-NATURE, volume = "135", number = "3414", pages = "535--535", day = "6", month = apr, year = "1935", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/135535b0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Tue Sep 5 11:47:42 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Bethe:1935:QTD, author = "H. Bethe and R. Peierls", title = "Quantum theory of the diplon", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "148", number = "863", pages = "146--156", month = jan, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0010", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Bethe:1935:SNP, author = "Hans Albrecht Bethe and R. Peierls", title = "The scattering of neutrons by protons", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "149", number = "866", pages = "176--183", month = mar, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0055", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Jackson:1935:EEB, author = "J. M. Jackson and A. Howarth", title = "Exchange of energy between diatomic gas molecules and a solid surface", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "152", number = "877", pages = "515--529", month = nov, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0206", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Swirles:1935:RSC, author = "Bertha Swirles", title = "The relativistic self-consistent field", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "152", number = "877", pages = "625--649", month = nov, year = "1935", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1935.0211", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See \cite[p. 143]{Hartree:1947:CAS} for corrections and additions.", acknowledgement = ack-nhfb, author-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", remark-1 = "This paper has been credited with being the first work on relativistic effects in self-consistent field computations. However, \cite[p. 528]{Simoes:2000:QCG} says that in a 17 March 1939 from Douglas Hartree to Robert Bruce Lindsay, Hartree felt that such credit should instead go to a Lindsay student surnamed Williams. However, no reference to that work is supplied, and the paper, or papers, describing that work are yet to be identified. Page 129 of entry Lindsay:1985:IARb identifies the student as Arthur O. Williams, Jr., with work on the copper atoms, and says that Williams' work was the second on the relativistic SCF, and described it in a Ph.D. thesis written under Lindsay's direction. See entries Williams:1937:RSC, Williams:1940:RSC, and Grant:1961:RSC.", remark-2 = "Entry SwirlesJeffreys:1987:DRH reports that certain coefficients laboriously derived in this paper had already been worked out in Inglis:1931:ERC, but that work was then unknown to her.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Bush:1936:IA, author = "Vannevar Bush", title = "Instrumental analysis", journal = j-BULL-AMS, volume = "42", number = "10", pages = "649--669", month = oct, year = "1936", CODEN = "BAMOAD", DOI = "https://doi.org/10.1090/S0002-9904-1936-06390-1", ISSN = "0002-9904 (print), 1936-881X (electronic)", ISSN-L = "0002-9904", bibdate = "Thu Nov 02 05:29:36 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.ams.org/journals/bull/1936-42-10/S0002-9904-1936-06390-1/", acknowledgement = ack-nhfb, fjournal = "Bulletin of the American Mathematical Society", journal-URL = "http://www.ams.org/journals/bull/all_issues.html", keywords = "differential analyzer", remark = "This is the twelfth Josiah Willard Gibbs Lecture, delivered at St. Louis, January 2, 1936, under the auspices of the American Mathematical Society. It does not mention Douglas Hartree.", } @Article{Massey:1936:ILN, author = "H. S. W. Massey and C. B. O. Mohr", title = "The interaction of light nuclei {III}-The binding energies of {He$^4$}, {He$^5$}, {Li$^6$}, and of nuclei of type $ 4 n $", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "156", number = "889", pages = "634--654", month = sep, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0172", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Massey:1936:NAI, author = "H. S. W. Massey and Robert Allan Smith", title = "Negative atomic ions", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "155", number = "886", pages = "472--489", month = jul, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0113", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Porter:1936:DAS, author = "Arthur Porter", title = "The Differential Analyser and Some Applications", type = "{Ph.D.} thesis", school = "The Victoria University of Manchester", address = "Manchester, UK", pages = "vii + 364", month = oct, year = "1936", bibdate = "Tue Sep 05 11:37:53 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/pqdtglobal/docview/301194398/", abstract = "In this thesis an account is given of the work done in connection with a machine, called the differential analyser, which is applied to solve differential equations. The plan of presentation is as follows. Firstly, an account of the model machine is given in the form of a published paper. Part I gives a descriptive account of (i) the extension and modification of the model, and (ii) the main points in the construct ion and adjustment of the full-size machine. Part II deals with a study of an automatic control problem. Part III gives details of the applications of the machine to other problems.", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", remark = "An appendix includes a copy of \cite{Hartree:1935:COM}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Swirles:1936:RIT, author = "Bertha Swirles", title = "The relativistic interaction of two electrons in the self-consistent field method", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "157", number = "892", pages = "680--696", month = dec, year = "1936", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1936.0224", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Bethe:1937:KEN, author = "H. A. Bethe and M. E. Rose", title = "Kinetic Energy of Nuclei in the {Hartree} Model", journal = j-PHYS-REV, volume = "51", number = "4", pages = "283--285", day = "15", month = feb, year = "1937", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.51.283", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sat Jun 16 15:06:17 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/b/bethe-hans.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://prola.aps.org/abstract/PR/v51/i4/p283_1", ZMnumber = "0016.09303", acknowledgement = ack-nhfb, author-dates = "Hans Albrecht Bethe (1906--2005)", fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", subjects = "Quantum theory", } @Article{Rose:1937:ENS, author = "M. E. Rose and H. A. Bethe", title = "Erratum: {Nuclear Spins and Magnetic Moments in the Hartree Model (Phys. Rev. {\bf 51}, 2051937)}", journal = j-PHYS-REV, volume = "51", number = "11", pages = "993--993", day = "1", month = jun, year = "1937", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.51.993.2", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sat Jun 16 15:06:17 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/b/bethe-hans.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See \cite{Rose:1937:NSM}.", URL = "http://prola.aps.org/abstract/PR/v51/i11/p993_2", acknowledgement = ack-nhfb, author-dates = "Hans Albrecht Bethe (1906--2005)", fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Rose:1937:NSM, author = "M. E. Rose and H. A. Bethe", title = "Nuclear Spins and Magnetic Moments in the {Hartree} Model", journal = j-PHYS-REV, volume = "51", number = "3", pages = "205--213", day = "1", month = feb, year = "1937", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.51.205", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sat Jun 16 15:06:17 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/b/bethe-hans.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See erratum \cite{Rose:1937:ENS}.", URL = "http://prola.aps.org/abstract/PR/v51/i3/p205_1", ZMnumber = "0016.14203", acknowledgement = ack-nhfb, author-dates = "Hans Albrecht Bethe (1906--2005)", fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", subjects = "Quantum theory", } @Article{Rosseland:1937:ODN, author = "Svein Rosseland", title = "Om Differensialanalysatoren. ({Norwegian}) [{On} the Differential Analyzer]", journal = j-NORSK-MAT-TIDSSKR, volume = "19", number = "1--4", pages = "134--138", month = "????", year = "1937", ISSN = "2387-2187", ISSN-L = "2387-2187", bibdate = "Thu Aug 17 08:13:14 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://articles.adsabs.harvard.edu/full/seri/QJRAS/0027/0000512.000.html", acknowledgement = ack-nhfb, author-dates = "31 March 1894--19 January 1985", fjournal = "Norsk Matematisk Tidsskrift", language = "Norwegian", remark = "No online archive of this journal has been found. Google Books has snippets from a few volumes, but not volume 19.", } @Article{Stevenson:1937:GES, author = "A. F. Stevenson", title = "A generalization of the equations of the self-consistent field for two-electron configurations", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "160", number = "903", pages = "588--604", day = "15", month = jun, year = "1937", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1937.0128", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "13 February 1937 [communicated by D. R. Hartree, FRS]", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Williams:1937:RSC, author = "Arthur Olney {Williams, Jr.}", title = "A Relativistic Self-Consistent Field for Copper", type = "{Ph.D.} thesis", school = "Brown University", address = "Providence, RI, USA", pages = "vi + 86", month = oct, year = "1937", bibdate = "Wed Aug 16 16:46:21 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See also \cite{Williams:1940:RSC}.", URL = "https://www.proquest.com/pqdtglobal/docview/301791656", acknowledgement = ack-nhfb, advisor = "Robert Bruce Lindsay", author-dates = "1913--????", remark = "Thesis not available online. Proquest says degree year is 1938, but Brown University Library catalog says October 1937.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @MastersThesis{Buneman:1938:LSO, author = "Oscar Buneman", title = "Linear Second Order Differential Equations Having Four Regular Singularities", type = "{M.Sc.} thesis", school = "Victoria University of Manchester", address = "Manchester, UK", pages = "????", year = "1938", bibdate = "Thu Sep 07 06:00:39 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, advisor = "Louis Mordell, Patrick M. S. Blackett, and Douglas Rayner Hartree", author-dates = "Oscar Buneman (28 September 1913--24 January 1993)", remark = "Cited in \cite[pp. 8, 20]{Meyer-Spasche:2016:PPO}.", } @MastersThesis{Crank:1938:TBL, author = "John Crank", title = "The treatment of a boundary layer and two valve problems by the differential analyser", type = "{M.Sc.} thesis", school = "Victoria University of Manchester", address = "Manchester, UK", pages = "????", year = "1938", bibdate = "Tue Sep 05 14:39:20 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://mathshistory.st-andrews.ac.uk/Biographies/Crank/; https://www.proquest.com/pqdtglobal/docview/301230033/", acknowledgement = ack-nhfb, advisor = "William Lawrence Bragg and Douglas Rayner Hartree", author-dates = "John Crank (6 February 1916--3 October 2006)", remark = "ProQuest and Mathematics Genealogy site say M.Sc., not Ph.D. Library Hub Discover, Manchester University and ProQuest catalogs lack degree, page count, and precise date. No electronic copy available. Victoria University of Manchester awarded him an honorary D.Sc. in 1953.", } @Article{Massey:1938:SSD, author = "H. S. W. Massey and J. Wylie and R. A. Buckingham and R. Sullivan", title = "A Small Scale Differential Analyser: Its Construction and Operation", journal = j-PROC-R-IR-ACAD-SECT-A, volume = "45", pages = "1--21", day = "4", month = oct, year = "1938", CODEN = "PRIAAK", ISSN = "0035-8975", bibdate = "Thu Aug 17 07:50:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.jstor.org/stable/20490736", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Irish Academy, Section A: Mathematical and Physical Sciences", read = "11 April 1938", remark = "From page 1: ``To this end a model machine has been constructed which, while robust and capable of giving results to an average accuracy of 1--2 per cent., is comparatively inexpensive, the total cost of the materials employed in its construction being less than \pounds 50.''", } @Article{Anonymous:1939:DAE, author = "Anonymous", title = "The Differential Analyser in Electrical Engineering", journal = j-NATURE, volume = "143", number = "3610", pages = "36--36", day = "7", month = jan, year = "1939", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/143036a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Mon Aug 14 10:19:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Comments on \cite{Hartree:1938:DAA,Hartree:1938:ADA}.", URL = "https://www.nature.com/articles/143036a0", acknowledgement = ack-nhfb, fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Jucys:1939:SCF, author = "A. Jucys", title = "Self-consistent field with exchange for carbon", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "173", number = "952", pages = "59--67", month = nov, year = "1939", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1939.0128", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Lewis:1939:CCS, author = "Clayton Roy Lewis", title = "Collision Cross-sections of Some Singly-excited States of Helium Using {Hartree} Wave Functions", type = "{Ph.D.} thesis", school = "Brown University", address = "Providence, RI, USA", pages = "ix + 90", year = "1939", bibdate = "Wed Sep 06 16:07:42 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/pqdtglobal/docview/301807268/", acknowledgement = ack-nhfb, remark = "Neither publication metadata, nor an electronic form, are available at ProQuest. WorldCat data from Brown University catalog supplied page data.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Stevenson:1939:MIC, author = "A. F. Stevenson", title = "A Method for Improved Calculation of Energies of Two-Electron Configurations from {Hartree} Functions Application to $ 2 p^2 $ in {O III}", journal = j-PHYS-REV, volume = "56", number = "6", pages = "586--593", month = sep, year = "1939", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/physrev.56.586", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Wed Aug 16 17:27:10 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.56.586", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Thatcher:1939:CWF, author = "W. A. Thatcher", title = "Calculated wave functions and energy values for X-{ray} terms of potassium", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "172", number = "949", pages = "242--263", month = aug, year = "1939", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1939.0102", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Buneman:1940:LSO, author = "Oscar Buneman", title = "The Solutions of the Spheroidal Wave Equation", type = "{Ph.D.} thesis", school = "Victoria University of Manchester", address = "Manchester, UK", year = "1940", bibdate = "Tue Sep 05 14:49:23 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Oscar_Buneman; https://www.proquest.com/pqdtglobal/docview/301225455", accepted = "3 Mary 1940", acknowledgement = ack-nhfb, advisor = "Herbert Brian Squire and Douglas Rayner Hartree", advisor-dates = "Herbert Brian Squire (1909--1961); Douglas Rayner Hartree (27 March 1897--12 February 1958)", author-dates = "Oscar Buneman (28 September 1913--24 January 1993)", remark = "Listed in Mathematics Genealogy Web site, but not present in ProQuest. Library Hub Discover, or University of Manchester library catalog. Born in Milan, Italy as Oscar B{\"u}nemann, and educated in Hamburg, Germany, he Anglicized his surname to Buneman after fleeing the Nazis in the 1930s and moving to England. The thesis title and dates are from \cite[p. 9]{Meyer-Spasche:2016:PPO}. That title is not found in the Library Hub Discover or Manchester University library catalogs. ProQuest says degree date is 1942, but entry \cite{Bracewell:1993:OB} also says 1940. No electronic copy is available. The year disagreement is explained in \cite[pp. 9--10]{Meyer-Spasche:2016:PPO}: ``OB submitted his thesis in April 1940, and on May 3, the committee accepted an application to examine his thesis `Solutions of the Spheroidal Wave Equation' (Buneman 1940). The internal examiner was to be Dr Squire [\cite{Gates:1962:HBS}]. \ldots{} As things developed, his applications for a teaching post were thwarted, because on June 3, 1940, Oscar Bunemann was interned as an enemy alien. When the committee met for his oral PhD examination on June 8 [1940], it noted that Buneman had been interned and queried whether an examiner could be sent to hold the oral at `the place of internment' as it had been indicated that he would not be released to attend the oral. The official document for his doctoral degree is dated May 1, 1942. In practice, though, the degree was granted to him in absentia in the summer of 1940.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", submitted = "April 1940", xxpages = "39", xxtitle = "Linear Second Order Differential Equations Having Four Regular Singularities", } @Article{Williams:1940:RSC, author = "A. O. (Arthur Olney) {Williams, Jr.}", title = "A Relativistic Self-Consistent Field for {Cu$^+$}", journal = j-PHYS-REV, volume = "58", number = "8", pages = "723--726", month = oct, year = "1940", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/physrev.58.723", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Wed Aug 16 17:06:09 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See also thesis \cite{Williams:1937:RSC}.", URL = "https://journals.aps.org/pr/abstract/10.1103/PhysRev.58.723", abstract = "An improvement can be made in the Hartree self-consistent field solution of the many-electron atom by substituting the Dirac relativistic one-electron equation for the Schr{\"o}dinger one-electron equation. It has been shown earlier that in the solution without exchange the necessary potential function can be found just as in the nonrelativistic case. The numerical solution for the inner shells of Cu$^+$ is outlined, and tables of the resulting energy parameters and charge density distribution are given. The corrections introduced into the charge density distribution are small, except near the nucleus, for this comparatively light ion. The energy parameters are noticeably affected, and the known splitting of the $ (p)$ and $ (d)$ energy parameters is shown. Approximate calculations of the magnetic interaction energies between two electrons show the results to be negligible, to the order of accuracy of the main calculations.", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", received = "8 July 1940", remark = "The footnote to the title in this paper says: ``Abstract of a thesis submitted to the Graduate School of Brown University in partial fulfillment of the requirements for the degree of Doctor of Philosophy.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Shannon:1941:MTD, author = "Claude E. Shannon", title = "Mathematical theory of the differential analyzer", journal = j-J-MATH-PHYS-MIT, volume = "20", number = "1--4", pages = "337--354", month = apr, year = "1941", CODEN = "JMPHA9", DOI = "https://doi.org/10.1002/sapm1941201337", ISSN = "0097-1421", ISSN-L = "0097-1421", MRclass = "65.0X", MRnumber = "0006251 (3,279a)", MRreviewer = "H. L. Hazen", bibdate = "Sat Nov 20 10:08:20 2010", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/shannon-claude-elwood.bib", acknowledgement = ack-nhfb, ajournal = "J. Math. Phys. Mass. Inst. Tech.", attnote = "Included in Part B.", author-dates = "Claude Elwood Shannon (April 30, 1916--February 24, 2001)", fjournal = "Journal of Mathematics and Physics", journal-URL = "http://onlinelibrary.wiley.com/journal/10.1111/(ISSN)1467-9590", remark = "The last of three references is \cite{Hartree:1938:MID}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hill:1943:OMW, author = "A. V. Hill", title = "Obituaries: {Mr. William Hartree, O.B.E.}", journal = j-NATURE, volume = "152", number = "3849", pages = "154--156", day = "7", month = aug, year = "1943", CODEN = "NATUAS", DOI = "https://doi.org/10.1038/152154a0", ISSN = "0028-0836 (print), 1476-4687 (electronic)", ISSN-L = "0028-0836", bibdate = "Wed Aug 16 07:16:32 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.nature.com/articles/152154a0#citeas", abstract = "A remarkable fact about William Hartree, who died on April 27, 1943, was that his first scientific paper appeared (in 1920) when he was fifty, his last (in 1941) when he was seventy-one. In those twenty-one years he published ten papers alone and thirty-six in collaboration (in J. Physiol., Proc. Roy. Soc. A and B, Phil. Trans. A and B, Phys. Rev., J. Sci. Instruments, Proc. Camb. Phil. Soc., and Biochem. J.).", acknowledgement = ack-nhfb, fjournal = "Nature", journal-URL = "http://www.nature.com/nature/archive/", remark-1 = "William Hartree is the father of Douglas Rayner Hartree.", remark-2 = "From the article: ``I had to stop him then from trying to get into the army at forty-seven --- because he was enjoying that work too much! Later, at Cambridge, when I pressed him once to take a holiday, he wrote me next day `I have taken a holiday to-day --- made a new kind of experiment' the only kind of holiday he liked.''", remark-3 = "From the article: ``In his work with me on the physiology of muscle he reckoned that he had written down between $10^7$ and $10^8$ figures, and we very seldom discovered a mistake''", remark-4 = "From the article: ``As D. R. Hartree wrote me, `I regard his work for Cu as a considerable technical feat; one aspect of it is that it forms the solution of a system of 34 simultaneous non-linear differential equations!'\,''.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); William Hartree (8 April 1870--27 April 1943)", } @Article{Milne:1944:RHF, author = "E. A. Milne", title = "{Ralph Howard Fowler}", journal = j-J-LOND-MATH-SOC, volume = "19", number = "76 (Part 4)", pages = "244--256", month = oct, year = "1944", CODEN = "JLMSAK", DOI = "https://doi.org/10.1112/jlms/19.76_part_4.244", ISSN = "0024-6107 (print), 1469-7750 (electronic)", ISSN-L = "0024-6107", bibdate = "Mon Aug 14 06:12:34 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reprinted, with minor changes, in \cite{Milne:1944:RHF}. See also extended version with publication list in \cite{Milne:1945:ONR}.", acknowledgement = ack-nhfb, fjournal = "Journal of the London Mathematical Society", journal-URL = "http://jlms.oxfordjournals.org/content/by/year", subject-dates = "Ralph Howard Fowler (17 January 1889--28 July 1944)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Milne:1945:ONR, author = "E. A. Milne", title = "Obituary Notices: {Ralph Howard Fowler} [{17 January 1889--28 July 1944}]", journal = j-MONTHLY-NOT-ROY-ASTRON-SOC, volume = "105", number = "2", pages = "80--87", month = apr, year = "1945", CODEN = "MNRAA4", DOI = "https://doi.org/10.1093/mnras/105.2.80", ISSN = "0035-8711 (print), 1365-2966 (electronic)", ISSN-L = "0035-8711", bibdate = "Sat Aug 12 15:24:32 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See also abbreviated versions \cite{Milne:1944:RHF,Milne:1945:RHF}.", acknowledgement = ack-nhfb, fjournal = "Monthly Notices of the Royal Astronomical Society", journal-URL = "https://academic.oup.com/mnras", remark = "According to the Mathematics Genealogy Web site in August 2023, Ralph Fowler has 19 students and 3229 descendants. Although Douglas Hartree was in Fowler's research group at the University of Cambridge, he is not listed in that Web sites as Fowler's student; instead, Hartree is listed as Ernest Rutherford's student. There is no mention of Hartree in this article.", subject-dates = "Ralph Howard Fowler (17 January 1889--28 July 1944)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Milne:1945:RHF, author = "Edward Arthur Milne", title = "{Ralph Howard Fowler, 1889--1944}", journal = j-OBIT-NOTICES-FELLOWS-ROY-SOC, volume = "5", number = "14", pages = "60--78", month = nov, year = "1945", CODEN = "????", DOI = "https://doi.org/10.1098/rsbm.1945.0005", ISSN = "1479-571X (print), 2053-9118 (electronic)", ISSN-L = "1479-571X", bibdate = "Sat Aug 12 15:35:26 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/obit-notices-fellows-roy-soc.bib", note = "Minor changes from \cite{Milne:1944:RHF}. See also extended version with publication list in \cite{Milne:1945:ONR}. See also extended version with publication list in \cite{Milne:1945:ONR}.", URL = "http://www.jstor.org/stable/769110", acknowledgement = ack-nhfb, ajournal = "Obit. Notices Roy. Soc. London", fjournal = "Obituary Notices of Fellows of the Royal Society", published = "01 November 1945", journal-URL = "https://royalsocietypublishing.org/journal/rsbm; https://www.jstor.org/journal/obitnotifellroya", remark = "According to the Mathematics Genealogy Web site in August 2023, Ralph Fowler has 19 students and 3229 descendants. Although Douglas Hartree was in Fowler's research group at Cambridge University, he is not listed in that Web sites as Fowler's student; instead, Hartree is listed as Ernest Rutherford's student. There are only brief mentions of Hartree in this article, including a reference to their only joint paper \cite{Fowler:1926:ISI}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Ralph Howard Fowler (17 January 1889--28 July 1944)", } @Article{Scott:1945:IPR, author = "R. A. Scott", title = "An investigation of the performance of the {Rayleigh} disk", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "183", number = "994", pages = "296--316", month = feb, year = "1945", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1945.0004", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Anonymous:1946:REE, author = "Anonymous", title = "Review of {{\booktitle{The ENIAC, an Electronic Calculating Machine}}, by D. R. Hartree}", journal = j-MATH-TABLES-OTHER-AIDS-COMPUT, volume = "2", number = "16", pages = "185--185", month = oct, year = "1946", CODEN = "MTTCAS", DOI = "https://doi.org/10.2307/2002581", ISSN = "0891-6837 (print), 2326-4853 (electronic)", ISSN-L = "0891-6837", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/2002581", acknowledgement = ack-nhfb, fjournal = "Mathematical Tables and Other Aids to Computation", journal-URL = "http://www.ams.org/mcom/", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Book{Jeffreys:1946:MMP, author = "Harold Jeffreys and Bertha {Swirles Jeffreys}", title = "Methods of Mathematical Physics", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, pages = "vii + 1 + 679", year = "1946", LCCN = "QA401 .J4", bibdate = "Thu Aug 17 10:48:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Bertha_Swirles; https://en.wikipedia.org/wiki/Harold_Jeffreys", acknowledgement = ack-nhfb, author-dates = "Sir Harold Jeffreys (22 April 1891--18 March 1989); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Nicolson:1946:TPT, author = "Phyllis (n{\'e}e Lockett) Nicolson", title = "Three Problems in Theoretical Physics", type = "{Ph.D.} thesis", school = "Victoria University of Manchester", address = "Manchester, UK", pages = "192 (some unnumbered figures)", year = "1946", bibdate = "Wed Sep 06 06:38:26 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://dbpedia.org/page/Phyllis_Nicolson; https://en.wikipedia.org/wiki/Phyllis_Nicolson; https://mathshistory.st-andrews.ac.uk/Biographies/Nicolson/; https://www.proquest.com/pqdtglobal/docview/2277490510", abstract = "The thesis is divided into three sections each of which gives an account of a distinct piece of work. The first section is concerned with Cosmic Radiation and was done under the supervision of Dr L. J{\'a}nossy during 1939 and 1940. In 1940 cosmic ray work was interrupted by the war and the other two sections deal with problems arising from the war effort which were investigated under the direction of Professor D. Hartree while in the employ of the Ministry of Supply.", acknowledgement = ack-nhfb, advisor = "Lajos J{\'a}nossy and Douglas Rayner Hartree", author-dates = "Phyllis Nicolson (1 September 1917--6 October 1968)", remark-1 = "From the Preface on page 9: ``In 1939 cosmic ray work was started under the direction of Dr L. J{\'a}nossy and would normally have formed the basis of a Ph.D. thesis presented in 1941. In 1940 however this work was interrupted by the war and the writer joined a Ministry of Supply group under the direction of Professor D. R. Hartree F.R.S, As a result this thesis is composed of three unrelated sections each giving an account of a separate piece of work. The first part deals with the cosmic ray work carried out in 1939 and 1940; the remainder is concerned with two of the problems which were investigated during the period 1940-43 while in the employ of the Ministry of Supply.\par \ldots{} \par My thanks are also due to Mr J. Crank who collaborated in the work described in Part III; to Messrs E. Lloyd and H. Parsons who mainly carried out the Differential Analyser work involved in Part III; to Dr. 0. Bunemann and Mr D. T. Copley, who were also members of Professor Hartree's Magnetron Group, for many helpful discussions in the course of the magnetron work.''", remark-2 = "The author was Phyllis Lockett until her marriage in 1942 to physicist M. M. (Malcolm Macleod) Nicolson (1919--1951), another student of Douglas Hartree. Malcolm died in a train accident, crossing rail lines in fog, in Leeds on 21 December 1951. On 1 August 1955, Phyllis married physicist Malcolm McCaig (1911--1978). I have been unable to locate degree information for Malcolm Macleod Nicolson in the Cambridge iDiscover, Library Hub Discover, and Manchester University library catalogs, or in ProQuest.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Part I: Cosmic Radiation \\ Meson Formation and the East--West Asymmetry and Latitude effect at Sea Level \\ Part II: Magnetrons \\ Transient behaviour in the single anode magnetron \\ Part III: Head Conduction \\ The Solution of the partial differential equations describing the flow of heat in a medium in which internal evolution of heat occurs as a result of chemical processes", } @Article{Brown:1947:RCM, author = "B. M. Brown", title = "Review of {{\booktitle{Calculating Machines. Recent Work and Prospective Developments}}, by D. R. Hartree}", journal = j-MATH-GAZ, volume = "31", number = "295", pages = "176--176", month = jul, year = "1947", CODEN = "MAGAAS", ISSN = "00255572", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3610519", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Book{Crank:1947:DA, author = "John Crank", title = "The differential analyser", publisher = "Longmans", address = "London, UK", pages = "137 + 4", year = "1947", bibdate = "Tue Sep 05 14:32:23 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "John Crank (6 February 1916--3 October 2006)", remark = "John Crank (Ph.D. 1938) is Douglas Hartree's doctoral student.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Crank:1947:PMN, author = "John Crank and Phyllis Nicolson", title = "A Practical Method for Numerical Evaluation of Solutions of Partial Differential Equations of the Heat-Conduction Type", journal = j-MATH-PROC-CAMB-PHILOS-SOC, volume = "43", number = "1", pages = "50--67", month = jan, year = "1947", CODEN = "MPCPCO", DOI = "https://doi.org/10.1017/s0305004100023197", ISSN = "0305-0041 (print), 1469-8064 (electronic)", ISSN-L = "0305-0041", bibdate = "Wed Sep 6 18:34:37 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Crank%E2%80%93Nicolson_method", acknowledgement = ack-nhfb, author-dates = "John Crank (6 February 1916--3 October 2006); Phyllis Nicolson (21 September 1917--6 October 1968)", fjournal = "Mathematical Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", keywords = "Crank--Nicolson method for finite differences", received = "20 March 1946", remark = "From the last paragraph: ``The authors are grateful to Prof. D. R. Hartree for many helpful suggestions. In operating the differential analyser, the authors were assisted by Messrs E. C. Lloyd, H. W. Parsons and W. W. J. Cairns.'' John Crank was at the Mathematical Laboratory, Cambridge, and Phyllis Nicolson was at Girton College, Cambridge. There are several mentions of advice from Douglas R. Hartree and John von Neumann that led to what has since been called the ``Crank--Nicolson method for finite differences'' for solving partial differential equations.", } @Article{K:1947:RCM, author = "R. S. K.", title = "Review of {{\booktitle{Calculating Machines}}, by D. R. Hartree}", journal = j-CURR-SCI, volume = "16", number = "5", pages = "161--162", year = "1947", CODEN = "CUSCAM", ISSN = "0011-3891", ISSN-L = "0011-3891", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/24210748", acknowledgement = ack-nhfb, fjournal = "Current Science", journal-URL = "https://www.jstor.org/journal/currentscience", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{L:1947:RCM, author = "D. H. L.", title = "Review of {{\booktitle{Calculating Machines, Recent and Prospective Developments and their Impact on Mathematical Physics}}, by D. R. Hartree}", journal = j-MATH-TABLES-OTHER-AIDS-COMPUT, volume = "2", number = "19", pages = "316--317", month = jul, year = "1947", CODEN = "MTTCAS", ISSN = "08916837", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/2002592", acknowledgement = ack-nhfb, fjournal = "Mathematical Tables and Other Aids to Computation", journal-URL = "http://www.ams.org/mcom/", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Anonymous:1948:MAM, author = "Anonymous", title = "Most Amazing Machines Still Depend on Man", journal = "Los Angeles Times", volume = "??", number = "??", pages = "A8--A8", day = "1", month = aug, year = "1948", ISSN = "0458-3035", ISSN-L = "0458-3035", bibdate = "Mon Aug 07 11:37:20 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/hnplatimes/docview/165831266", acknowledgement = ack-nhfb, journal-URL = "https://www.latimes.com/archives", remark = "Contains comment by Douglas Hartree [British mathematician on leave from the University of Cambridge to serve as acting director of the UCLA Institute for Numerical Analysis]: ``A machine might go haywire, he said, and some of its intricate working parts might go on trying to divide by zero for an eternity.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Arnold:1948:RCM, author = "K. J. Arnold", title = "Review of {{\booktitle{Calculating Machines}}, by D. R. Hartree}", journal = j-AMER-MATH-MONTHLY, volume = "55", number = "2", pages = "109--109", month = feb, year = "1948", CODEN = "AMMYAE", ISSN = "0002-9890 (print), 1930-0972 (electronic)", ISSN-L = "0002-9890", bibdate = "Mon Jun 28 12:38:48 MDT 1999", bibsource = "http://www.jstor.org/journals/00029890.htm; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "American Mathematical Monthly", journal-URL = "https://www.jstor.org/journals/00029890.htm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Harish-Chandra:1948:REE, author = "Harish-chandra Harish-Chandra", title = "Relativistic equations for elementary particles", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "192", number = "1029", pages = "195--218", month = feb, year = "1948", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1948.0005", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Anonymous:1949:MDA, author = "Anonymous", title = "{Meccano} differential analyser, 1947", howpublished = "Open Science Museum Group Web site", year = "1949", bibdate = "Mon Sep 11 11:38:05 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "This site contains photographs of the model differential analyser built by Douglas R. Hartree and Arthur Porter in 1934, and then reconstructed by Hartree in 1947. It was contributed by Hartree's son, Richard Hartree.", URL = "https://www.jstor.org/stable/community.26290058", acknowledgement = ack-nhfb, } @Article{Clemmow:1949:TFP, author = "P. C. Clemmow and Cara M. Munford", title = "A theory of the film phenomena of liquid helium {II}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "198", number = "1054", pages = "438--446", month = aug, year = "1949", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1949.0111", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Coulson:1949:XNM, author = "Charles A. Coulson and Inga Fischer", title = "{XXXIV}. {Notes} on the molecular orbital treatment of the hydrogen molecule", journal = j-PHILOS-MAG, volume = "40", number = "303", pages = "386--393", month = apr, year = "1949", CODEN = "PHMAA4", DOI = "https://doi.org/10.1080/14786444908521726", ISSN = "0031-8086", bibdate = "Mon Aug 14 09:50:12 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Charles_Coulson; https://en.wikipedia.org/wiki/Inga_Fischer-Hjalmars; https://www.tandfonline.com/doi/abs/10.1080/14786444908521726", acknowledgement = ack-nhfb, author-dates = "Charles Alfred Coulson (13 December 1910--7 January 1974); Inga Fischer-Hjalmars (16 January 1918--17 September 2008)", fjournal = "Philosophical Magazine", journal-URL = "http://www.tandfonline.com/loi/tphm19", keywords = "multi-configurational self-consistent field (MC-SCF) methods; unrestricted Hartree--Fock method", remark = "According to \cite[p. 244]{Roos:1994:IIF}, ``This landmark paper, which is still used as a reference, pointed forward to the development of the unrestricted Hartree--Fock method and multi-configurational self-consistent field methods for the description of the dissociation of the chemical bond.'' See also \cite{Altmann:1974:CAC,Johansson:2012:IFH} for memoirs of the authors.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Domb:1949:ODSa, author = "Cyril Domb", title = "Order--disorder statistics. {I}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "196", number = "1044", pages = "36--50", month = feb, year = "1949", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1949.0012", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Domb:1949:ODSb, author = "C. Domb", title = "Order--disorder statistics. {II}. A two-dimensional model", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "199", number = "1057", pages = "199--221", month = oct, year = "1949", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1949.0134", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Stewartson:1949:CIC, author = "K. Stewartson", title = "Correlated incompressible and compressible boundary layers", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "200", number = "1060", pages = "84--100", month = dec, year = "1949", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1949.0160", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Temperley:1949:SMP, author = "H. N. V. Temperley", title = "Statistical mechanics and the partition of numbers {I}. {The} transition of liquid helium", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "199", number = "1058", pages = "361--375", month = nov, year = "1949", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1949.0143", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Allport:1950:RCI, author = "Gordon W. Allport", title = "Review of {{\booktitle{Calculating Instruments and Machines}}, by Douglas R. Hartree}", journal = j-SCI-AMER, volume = "182", number = "6", pages = "59--59", month = jun, year = "1950", CODEN = "SCAMAC", DOI = "https://doi.org/10.1038/scientificamerican0650-56", ISSN = "0036-8733 (print), 1946-7087 (electronic)", ISSN-L = "0036-8733", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/24967482; http://www.nature.com/scientificamerican/journal/v182/n6/pdf/scientificamerican0650-56.pdf", acknowledgement = ack-nhfb, fjournal = "Scientific American", journal-URL = "http://www.nature.com/scientificamerican", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Boys:1950:EWF, author = "S. F. (Samuel Francis) Boys", title = "Electronic wave functions --- {I}. {A} general method of calculation for the stationary states of any molecular system", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "200", number = "1063", pages = "542--554", month = feb, year = "1950", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1950.0036", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Sat Aug 12 07:00:14 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "This communication deals with the general theory of obtaining numerical electronic wave functions for the stationary states of atoms and molecules. It is shown that by taking Gaussian functions, and functions derived from these by differentiation with respect to the parameters, complete systems of functions can be constructed appropriate to any molecular problem, and that all the necessary integrals can be explicitly evaluated. These can be used in connexion with the molecular orbital method, or localized bond method, or the general method of treating linear combinations of many Slater determinants by the variational procedure. This general method of obtaining a sequence of solutions converging to the accurate solution is examined. It is shown that the only obstacle to the evaluation of wave functions of any required degree of accuracy is the labour of computation. A modification of the general method applicable to atoms is discussed and considered to be extremely practicable.", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "31 August 1949", remark = "This paper introduces Gaussian-Type Orbitals (GTOs), as a replacement for Slater-Type Orbitals (STOs), in molecular calculations to reduce the difficult 1-, 2-, 3-, and 4-center integrals to at most 2-center integrals, for each of which there is a simple exact analytical formula that is easy to evaluate.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Mathew:1950:RCM, author = "N. T. Mathew", title = "Review of {{\booktitle{Calculating Machines, Recent and Prospective Developments}}, by D. R. Hartree}", journal = j-SANKHYA, volume = "10", number = "1--2", pages = "166--166", month = mar, year = "1950", CODEN = "SNKYA5", ISSN = "0036-4452", ISSN-L = "0036-4452", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/25048021", acknowledgement = ack-nhfb, fjournal = "Sankhy{\=a} (Indian Journal of Statistics)", journal-URL = "https://www.jstor.org/journal/sankhya", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Temperley:1950:SMT, author = "H. N. V. Temperley", title = "Statistical mechanics of the two-dimensional assembly", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "202", number = "1069", pages = "202--207", month = jul, year = "1950", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1950.0094", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Wheeler:1950:POI, author = "David John Wheeler", title = "Programme organization and initial orders for the {EDSAC}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "202", number = "1071", pages = "573--589", month = aug, year = "1950", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1950.0121", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Anonymous:1951:RCI, author = "Anonymous", title = "Review of {{\booktitle{Calculating Instruments and Machines I Eng. Edn.}}, by D. R. Hartree. (1951)}", journal = j-CURR-SCI, volume = "20", number = "5", pages = "142--143", year = "1951", CODEN = "CUSCAM", ISSN = "00113891", bibdate = "Mon Sep 11 12:08:15 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/24212850", acknowledgement = ack-nhfb, fjournal = "Current Science", journal-URL = "https://www.jstor.org/journal/currentscience", reviewed-author = "D. R. Hartree", urldate = "2023-09-11", } @Article{Clemmow:1951:MES, author = "P. C. Clemmow", title = "A method for the exact solution of a class of two-dimensional diffraction problems", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "205", number = "1081", pages = "286--308", month = feb, year = "1951", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1951.0030", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Gill:1951:DMP, author = "S. Gill", title = "The diagnosis of mistakes in programmes on the {EDSAC}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "206", number = "1087", pages = "538--554", month = may, year = "1951", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1951.0087", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Good:1951:BRC, author = "I. J. Good", title = "Book Review: {{\booktitle{Calculating Instruments and Machines}}, by D. R. Hartree}", journal = j-J-R-STAT-SOC-SER-A-GENERAL, volume = "114", number = "1", pages = "106--107", month = "????", year = "1951", CODEN = "JSSAEF", DOI = "https://doi.org/10.2307/2980914", ISSN = "0035-9238", ISSN-L = "0035-9238", bibdate = "Sat Jan 24 11:18:10 MST 2015", bibsource = "http://www.jstor.org/stable/i349570; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jrss-a-1950.bib", URL = "http://www.jstor.org/stable/2980914", acknowledgement = ack-nhfb, fjournal = "Journal of the Royal Statistical Society. Series A (General)", journal-URL = "http://www.jstor.org/journals/00359238.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartley:1951:RCI, author = "H. O. Hartley", title = "Review of {{\booktitle{Calculating Instruments and Machines}}, by D. R. Hartree}", journal = j-SCI-PROG-RUSHDEN-UK, volume = "39", number = "156", pages = "721--722", month = oct, year = "1951", CODEN = "SCPRAY", ISSN = "0036-8504 (print), 2047-7163 (electronic)", ISSN-L = "0036-8504", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/43422940", acknowledgement = ack-nhfb, fjournal = "Science Progress (1933--)", journal-URL = "http://www.jstor.org/journal/scienceprogress", reviewed-author = "Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Slater:1951:MEH, author = "J. C. Slater", title = "Magnetic Effects and the {Hartree--Fock} Equation", journal = j-PHYS-REV-2, volume = "82", number = "4", pages = "538--541", day = "15", month = may, year = "1951", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.82.538", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sun Jul 1 11:06:16 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", URL = "http://prola.aps.org/abstract/PR/v82/i4/p538_1", acknowledgement = ack-nhfb, author-dates = "John Clarke Slater (1900--1976)", fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Slater:1951:SHF, author = "J. C. Slater", title = "A Simplification of the {Hartree--Fock} Method", journal = j-PHYS-REV-2, volume = "81", number = "3", pages = "385--390", day = "1", month = feb, year = "1951", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.81.385", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Sun Jul 1 11:06:16 MDT 2012", bibsource = "http://publish.aps.org/search; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib; https://www.math.utah.edu/pub/tex/bib/einstein.bib", URL = "http://prola.aps.org/abstract/PR/v81/i3/p385_1", acknowledgement = ack-nhfb, author-dates = "John Clarke Slater (1900--1976)", fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", remark = "This is the paper in which Slater introduces the X-$ \alpha $ method, an approximate method for solving the Hartree--Fock equations where the complicated two-electron Coulomb and exchange integral terms are replaced by much simpler integrals involving a one-particle scaled pseudopotential, with $ \alpha $ being the scale factor. Slater used $ \alpha = 1 $, but later independent derivations of Slater's method found $ \alpha = 2 / 3 $ (see \cite{Gaspar:1954:AHF,Herman:1963:ASC,Kohn:1965:SCE,Slater:1972:SEC,Connolly:1977:XM}). The method required computer solutions, and did not become practical until the mid 1960s, but already in 1952, Pratt \cite{Pratt:1952:WFE} succeeded in using it for a computation on the copper ion. According to Morse \cite{Morse:1982:JCS}, it was made self-consistent about 1965 (reference?? --- perhaps \cite{Herman:1963:ASC}). However, it was considerably faster than ab initio computations that handled all of the difficult integrals properly, and allowed computations on transition metal complexes that were completely intractable in 1970 with the ab initio approach. Keith Johnson at MIT, Frank Smith and Don Ellis at Florida, and dozens of doctoral students at Florida, MIT, Northwestern, and many other universities, wrote hundreds of papers and dissertations on computations with pseudopotential methods, density functional methods, and discrete variational methods, all of whose roots are in this paper.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Vajda:1951:RCI, author = "S. Vajda", title = "Review of {{\booktitle{Calculating Instruments and Machines}}, by D. R. Hartree}", journal = j-MATH-GAZ, volume = "35", number = "311", pages = "71--72", month = feb, year = "1951", CODEN = "MAGAAS", ISSN = "00255572", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3610576", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Anonymous:1952:MND, author = "Anonymous", title = "Members of Note: {Douglas Rayner Hartree, M.A., Ph.D., F.R.S.}", journal = j-PHYS-BULL, volume = "3", number = "32", pages = "57--57", month = aug, year = "1952", CODEN = "PHSBB4", DOI = "https://doi.org/10.1088/0031-9112/3/32/006", ISSN = "0031-9112", bibdate = "Mon Sep 11 11:06:06 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Physics Bulletin", journal-URL = "http://iopscience.iop.org/0031-9112", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Clemmow:1952:TCV, author = "P. C. Clemmow and Cara M. Munford", title = "A Table of $ \sqrt {(1 / 2) \pi }e^{(1 / 2) \pi \rho^2} \int_\rho^\infty e^{-(1 / 2) i \pi \lambda^2} \, d \lambda $ for Complex Values of $ \rho $", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "245", number = "895", pages = "189--211", month = sep, year = "1952", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1952.0022", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Dingle:1952:MPM, author = "Robert Balson Dingle", title = "The Magnetic Properties of Metals", type = "{Ph.D.} thesis", school = "Faculty of Physics and Chemistry, Cambridge University", address = "Cambridge, UK", pages = "????", day = "24", month = jan, year = "1952", bibdate = "Tue Sep 05 15:03:23 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Robert_Balson_Dingle; https://www.proquest.com/pqdtglobal/docview/302092416/", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", author-dates = "26 March 1926--2 March 2010", remark = "Listed in Mathematics Genealogy Web site. Not in Proquest, and no electronic copy is available. Found in Library Hub Discover (but no page count): https://discover.libraryhub.jisc.ac.uk/search?q=Robert%20Dingle%201952&rn=3. See also subsequent journal articles that likely arose from Dingle's thesis work: \cite{Dingle:1952:SMPa,Dingle:1952:SMPb,Dingle:1952:SMPc,Dingle:1952:SMPd,Dingle:1953:SMP}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1952:SMPa, author = "R. B. Dingle", title = "Some magnetic properties of metals. {I}. {General} introduction, and properties of large systems of electrons", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "211", number = "1107", pages = "500--516", month = mar, year = "1952", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1952.0055", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Wed Sep 6 14:08:13 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "23 July 1951", revised = "15 November 1951", } @Article{Dingle:1952:SMPb, author = "R. B. Dingle", title = "Some magnetic properties of metals {II}. {The} influence of collisions on the magnetic behaviour of large systems", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "211", number = "1107", pages = "517--525", month = mar, year = "1952", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1952.0056", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Wed Sep 6 14:18:28 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "23 July 1951", revised = "15 November 1951", } @Article{Dingle:1952:SMPc, author = "R. B. Dingle", title = "Some magnetic properties of metals --- {III}. {Diamagnetic} resonance", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "212", number = "1108", pages = "38--47", month = apr, year = "1952", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1952.0064", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Wed Sep 6 14:21:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://doi.org/10.1098/rspa.1952.0064", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "23 July 1951", revised = "15 November 1951", } @Article{Dingle:1952:SMPd, author = "R. B. Dingle", title = "Some magnetic properties of metals --- {IV}. {Properties} of small systems of electrons", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "212", number = "1108", pages = "47--65", month = apr, year = "1952", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1952.0065", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Wed Sep 6 14:21:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "23 July 1951", revised = "15 November 1951", } @Article{Heading:1952:ORL, author = "J. Heading and R. T. P. Whipple", title = "The oblique reflexion of long wireless waves from the ionosphere at the places where the {Earth}'s magnetic field is regarded as vertical", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "244", number = "887", pages = "469--503", month = apr, year = "1952", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1952.0012", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Pratt:1952:WFE, author = "George W. {Pratt, Jr.}", title = "Wave Functions and Energy Levels for {Cu$^+$} as Found by the {Slater} Approximation to the {Hartree--Fock} Equations", journal = j-PHYS-REV-2, volume = "88", number = "6", pages = "1217--1224", day = "15", month = dec, year = "1952", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.88.1217", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Tue Jul 03 08:49:51 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", URL = "http://prola.aps.org/abstract/PR/v88/i6/p1217_1", acknowledgement = ack-nhfb, fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", received = "25 August 1952", remark = "According to \cite{Morse:1982:JCS}, this may be the first application of Slater's X-$ \alpha $ method \cite{Slater:1951:SHF}. Calculations were done using an IBM 602-A calculating punch `computer'.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Senior:1952:DSI, author = "T. B. A. Senior", title = "Diffraction by a semi-infinite metallic sheet", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "213", number = "1115", pages = "436--458", month = jul, year = "1952", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1952.0137", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{B:1953:RNA, author = "R. E. B.", title = "Review of {{\booktitle{Numerical Analysis}}, by D. R. Hartree}", journal = "Journal of the Institute of Actuaries (1886--1994)", volume = "79", number = "1", pages = "123--124", month = jun, year = "1953", ISSN = "0020-2681 (print), 2058-1009 (electronic)", ISSN-L = "0020-2681", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/41139046", acknowledgement = ack-nhfb, journal-URL = "https://www.jstor.org/journal/jinstactuaries", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Church:1953:RCI, author = "Alonzo Church", title = "Review of {{\booktitle{Calculating Instruments and Machines}}, by D. R. Hartree}", journal = j-J-SYMBOLIC-LOGIC, volume = "18", number = "4", pages = "347--347", month = dec, year = "1953", CODEN = "JSYLA6", ISSN = "0022-4812 (print), 1943-5886 (electronic)", ISSN-L = "0022-4812", bibdate = "Fri Aug 4 17:46:37 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/2266600", acknowledgement = ack-nhfb, fjournal = "Journal of Symbolic Logic", journal-URL = "http://projecteuclid.org/euclid.jsl; http://www.jstor.org/journal/jsymboliclogic", reviewed-author = "Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Clemmow:1953:RPF, author = "P. C. Clemmow", title = "Radio propagation over a flat {Earth} across a boundary separating two different media", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "246", number = "905", pages = "1--55", month = jun, year = "1953", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1953.0008", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1953:SMP, author = "R. B. Dingle", title = "Some magnetic properties of metals. {V}. {Magnetic} behaviour of a cylindrical system of electrons for all magnetic fields", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "216", number = "1124", pages = "118--142", month = jan, year = "1953", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1953.0011", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Wed Sep 6 14:23:10 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "25 August 1952", } @Article{Dingle:1953:SMPa, author = "R. B. Dingle", title = "Some magnetic properties of metals. {V}. {Magnetic} behaviour of a cylindrical system of electrons for all magnetic fields", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "216", number = "1124", pages = "118--142", month = jan, year = "1953", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1953.0011", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1953:SMPb, author = "R. B. Dingle", title = "Some magnetic properties of metals {VI}. Surface corrections to the {Landau} diamagnetism and the {de Haas--van Alphen} effect", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "219", number = "1139", pages = "463--477", month = oct, year = "1953", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1953.0160", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Hartley:1953:BRN, author = "H. O. Hartley", title = "Book Review: {{\booktitle{Numerical Analysis}}, by D. R. Hartree}", journal = j-J-R-STAT-SOC-SER-A-GENERAL, volume = "116", number = "1", pages = "92--92", month = "????", year = "1953", CODEN = "JSSAEF", DOI = "https://doi.org/10.2307/2980959", ISSN = "0035-9238", ISSN-L = "0035-9238", bibdate = "Sat Jan 24 11:18:10 MST 2015", bibsource = "http://www.jstor.org/stable/i349578; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jrss-a-1950.bib", URL = "http://www.jstor.org/stable/2980959", acknowledgement = ack-nhfb, fjournal = "Journal of the Royal Statistical Society. Series A (General)", journal-URL = "http://www.jstor.org/journals/00359238.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Jones:1953:RNA, author = "C. W. Jones", title = "Review of {{\booktitle{Numerical Analysis}}, by D. R. Hartree}", journal = j-MATH-GAZ, volume = "37", number = "322", pages = "309--310", month = dec, year = "1953", CODEN = "MAGAAS", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3610092", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @PhdThesis{Klug:1953:KPC, author = "Aaron Klug", title = "The Kinetics of Phase Changes in Solids", type = "{Ph.D.} thesis", school = "University of Cambridge, Trinity College", address = "Cambridge, UK", day = "21", month = mar, year = "1953", bibdate = "Wed Sep 06 09:03:05 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Aaron_Klug; https://www.nobelprize.org/prizes/chemistry/1982/summary/; https://www.proquest.com/pqdtglobal/docview/301283484", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", author-dates = "Sir Aaron Klug (11 August 1926--20 November 2018)", remark = "No electronic copy found online, and no page count recorded. The author received the 1982 Nobel Prize in Chemistry for ``for his development of crystallographic electron microscopy and his structural elucidation of biologically important nucleic acid-protein complexes''. He was knighted in 1998.", } @Article{Williams:1953:TES, author = "A. O. (Arthur Olney) {Williams, Jr.}", title = "Two-Electron Self-Consistent Field", journal = j-PHYS-REV, volume = "90", number = "5", pages = "803--807", month = jun, year = "1953", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/physrev.90.803", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Wed Aug 16 17:13:28 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "Stevenson's extension of the Hartree self-consistent field (s.c.f.) method, to take some account of polarization interaction between two outer electrons, is worked out numerically, up to a point, for H$^-$. The two-electron wave function is a product of two one-electron radial functions and a function X of the angle between the two radii. Several integrals must be calculated and a boundary value problem for X must be solved prior to the stage of ordinary Hartree calculations. These fundamental computations are made here, but the routine solution of the radial Hartree equations has been omitted; instead the Stevenson corrections to the total energy are estimated by perturbation methods. These corrections seem just about large enough to yield an electron affinity for H$^-$ (something not achieved by s.c.f. or variation methods without polarization). However, a good deal of labor is involved beyond that required for s.c.f. solutions, and it is not certain that this particular method of including polarization effects is to be preferred to a combination of variation and s.c.f. calculations.", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", remark = "From the first paragraph: ``About 15 years ago Stevenson published an extension of the Hartree self-consistent field (s.c.f.) equations, designed to handle cases. of two electrons outside closed shells, including allowance for spatial symmetry properties and mutual polarization energy [\cite{Stevenson:1937:GES,Stevenson:1939:MIC}]. So far as the present author knows, no calculations have been carried out by this method, save for some approximate ones reported by Stevenson himself in a later paper.'''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Boys:1954:EWFa, author = "Samuel Francis Boys and V. E. Price", title = "Electronic wave functions --- a calculation of eight variational wave functions for {Cl}, {Cl$^-$}, {S}, and {S$^-$}", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "246", number = "917", pages = "451--462", month = jun, year = "1954", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1954.0004", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Boys:1954:EWFb, author = "Samuel Francis Boys and R. C. Sahni", title = "Electronic wave functions --- The evaluation of the general vector-coupling coefficients by automatic computation", journal = j-PHILOS-TRANS-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "246", number = "917", pages = "463--479", month = jun, year = "1954", CODEN = "PTRMAD", DOI = "https://doi.org/10.1098/rsta.1954.0005", ISSN = "0080-4614 (print), 2054-0272 (electronic)", ISSN-L = "0080-4614", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences", journal-URL = "http://www.jstor.org/journals/00804614.html", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Gaspar:1954:AHF, author = "R. G{\'a}sp{\'a}r", title = "{{\"U}ber eine Approximation des Hartree--Fockschen Potentials Durch eine Universelle Potentialfunktion}. ({German}) [{On} an approximation of the {Hartree--Fock} potential by a universal potential function]", journal = j-ACTA-PHYS-ACAD-SCI-HUNG, volume = "3", number = "3--4", pages = "263--286", month = apr, year = "1954", CODEN = "APAHAQ", DOI = "https://doi.org/10.1007/BF03156228", ISSN = "0001-6705 (print), 2064-3047 (electronic)", ISSN-L = "0001-6705", bibdate = "Fri Jul 06 15:44:56 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib; https://www.math.utah.edu/pub/tex/bib/einstein.bib", note = "In this paper, the Hartree--Fock--Slater X-$ \alpha $ equations \cite{Slater:1951:SHF,Slater:1972:SEC} are rederived by an independent method, with the prediction of a value $ \alpha = 2 / 3 $, instead of Slater's original $ \alpha = 1 $. The same factor was later rediscovered in independent work \cite{Kohn:1965:SCE}.", URL = "http://www.springerlink.com/content/w24337x7040846x5/", acknowledgement = ack-nhfb, fjournal = "Acta physica Academiae Scientiarum Hungaricae", journal-URL = "http://link.springer.com/journal/12658", language = "German", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Leigh:1954:NSD, author = "Donald C. Leigh", title = "Numerical Solution of a Differential Equation from Fluid Dynamics", type = "{Ph.D.} thesis", school = "University of Cambridge", address = "Cambridge, UK", year = "1954", bibdate = "Wed Sep 06 09:13:19 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://genealogy.math.ndsu.nodak.edu/id.php?id=140773", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", remark = "Not found in Cambridge iDiscover or Library Hub Discover catalogs, or in Proquest. No electronic copy or metadata available.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Cochran:1955:UHS, author = "William Cochran and A. S. Douglas", title = "The use of a high-speed digital computer for the direct determination of crystal structures. {I}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "227", number = "1171", pages = "486--500", month = feb, year = "1955", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1955.0025", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dwyer:1955:RNA, author = "P. S. Dwyer", title = "Review of {{\booktitle{Numerical Analysis}}, by D. R. Hartree}", journal = j-ECONOMETRICA, volume = "23", number = "1", pages = "104--105", month = jan, year = "1955", CODEN = "ECMTA7", ISSN = "0012-9682", ISSN-L = "0012-9682", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/1905587", acknowledgement = ack-nhfb, fjournal = "Econometrica", journal-URL = "http://www.jstor.org/journal/econometrica", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", xxISSN = "0012-9682, 1468-0262", } @InProceedings{Lowdin:1955:EHF, author = "Per-Olov L{\"o}wdin", booktitle = "Les Electrons dans les M{\'e}taux. Dixi{\`e}me Conference Solvay, Bruxelles 1954", title = "An Extension of the {Hartree--Fock} Method to Include Correlation Effects", publisher = "????", address = "????", pages = "71--88", year = "1955", LCCN = "????", bibdate = "Fri Nov 17 08:25:54 2000", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lowdin:1955:QTMa, author = "Per-Olov L{\"o}wdin", title = "Quantum theory of many-particle systems. {I}. {Physical} interpretations by means of density matrices, natural spin-orbitals, and convergence problems in the method of configurational interaction", journal = j-PHYS-REV, volume = "97", number = "6", pages = "1474--1489", day = "15", month = mar, year = "1955", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.97.1474", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", MRclass = "81.0X", MRnumber = "16,983e", MRreviewer = "L. Van Hove", bibdate = "Tue Dec 26 12:07:48 2000", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; MathSciNet database; nhfb-allref.bib; Zentralblatt Math database", URL = "http://prola.aps.org/abstract/PR/v97/i6/p1490_1", ZMnumber = "065.44907", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", keywords = "natural spin-orbitals (NSO); structure of matter", remark = "See historical perspective \cite{Roos:2000:PQT}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lowdin:1955:QTMb, author = "Per-Olov L{\"o}wdin", title = "Quantum theory of many-particle systems. {II}. {Study} of the ordinary {Hartree--Fock} approximation", journal = j-PHYS-REV, volume = "97", number = "6", pages = "1490--1508", day = "15", month = mar, year = "1955", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.97.1490", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", MRclass = "81.0X", MRnumber = "16,983f", MRreviewer = "L. Van Hove", bibdate = "Tue Dec 26 12:07:47 2000", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; MathSciNet database; nhfb-allref.bib; Zentralblatt Math database", URL = "http://prola.aps.org/abstract/PR/v97/i6/p1490_1", ZMnumber = "065.44907", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", keywords = "structure of matter", remark = "See historical perspective \cite{Roos:2000:PQT}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lowdin:1955:QTMc, author = "Per-Olov L{\"o}wdin", title = "Quantum theory of many-particle systems. {III}. {Extension} of the {Hartree--Fock} scheme to include degenerate systems and correlation effects", journal = j-PHYS-REV, volume = "97", number = "6", pages = "1509--1520", day = "15", month = mar, year = "1955", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.97.1509", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", MRclass = "81.0X", MRnumber = "16,983g", MRreviewer = "L. Van Hove", bibdate = "Tue Dec 26 12:07:45 2000", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; MathSciNet database; nhfb-allref.bib; Zentralblatt Math database", URL = "http://prola.aps.org/abstract/PR/v97/i6/p1509_1", ZMnumber = "065.44907", acknowledgement = ack-nhfb, fjournal = "Physical Review", journal-URL = "http://prola.aps.org/browse/PR", keywords = "structure of matter", remark = "See historical perspective \cite{Roos:2000:PQT}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Nesbet:1955:CIO, author = "R. K. Nesbet", title = "Configuration interaction in orbital theories", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "230", number = "1182", pages = "312--321", month = jun, year = "1955", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1955.0134", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Nesbet:1955:EES, author = "R. K. Nesbet", title = "Excited electronic states of 1, 3-butadiene", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "230", number = "1182", pages = "322--330", month = jun, year = "1955", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1955.0135", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Jeffreys:1956:MMP, author = "Harold Jeffreys and Bertha {Swirles Jeffreys}", title = "Methods of Mathematical Physics", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, edition = "Third", pages = "714", year = "1956", LCCN = "QA401 .J4 1956", bibdate = "Thu Aug 17 10:48:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", URL = "https://en.wikipedia.org/wiki/Bertha_Swirles; https://en.wikipedia.org/wiki/Harold_Jeffreys", acknowledgement = ack-nhfb, author-dates = "Sir Harold Jeffreys (22 April 1891--18 March 1989); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", remark = "References to Douglas Hartree in", remark-1 = "First edition 1946, second edition 1950, third edition 1956, first paperback edition 1972, reprinted 1978, 1980, 1988, 1992, 1999, 2001. Third edition preface is dated April 1953. Second edition preface is dated 15 November 1948. First edition preface is dated 1946. Reprinted in \cite{Jeffreys:1999:MMP}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Preface \\ Authors' Notes \\ 1: The Real Variable \\ 2: Scalars and Vectors \\ 3: Tensors \\ 4: Matrices \\ 5: Multiple Integrals \\ 6: Potential Theory \\ 7: Operational Methods \\ 8: Physical Applications of the Operational Method \\ 9: Numerical Methods \\ 10: Calculus of Variations \\ 11: Functions of a Complex Variable \\ 12: Contour Integration and Bromwich's Integral \\ 13: Conformal Representation \\ 14: Fourier's Theorem \\ 15: The Factorial and Related Functions \\ 16: Solution of Linear Differential Equation \\ 17: Asymptotic Expansions \\ 18: The Equations of Potential, Waves, and Heat Conduction \\ 19: Waves in One Dimension and Waves With Spherical Symmetry \\ 20: Conduction of Heat in One and Three Dimensions \\ 21: Bessel Functions \\ 22: Applications of Bessel Functions \\ 23: The Confluent Hypergeometric Function \\ 24: Legendre Functions and Associated Functions \\ 25: Elliptic Functions \\ Notes \\ Appendix on Notation \\ Index", } @PhdThesis{Ridley:1956:SSA, author = "E. Cecily Ridley", title = "Some Studies in Atomic Structure", type = "{Ph.D.} thesis", school = "University of Cambridge, Newnham College", address = "Cambridge, UK", pages = "????", year = "1956", bibdate = "Wed Sep 06 06:54:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/pqdtglobal/docview/301279118", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", remark = "No metadata or electronic copy available via ProQuest or Library Hub Discover.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Cochran:1957:UHS, author = "William Cochran and A. S. Douglas", title = "The use of a high-speed digital computer for the direct determination of crystal structures. {II}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "243", number = "1233", pages = "281--288", month = dec, year = "1957", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1957.0221", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Froese:1957:LBA, author = "Charlotte Froese", title = "The limiting behaviour of atomic wave functions for large atomic number", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "239", number = "1218", pages = "311--319", month = mar, year = "1957", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1957.0041", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Froese:1957:SCFa, author = "Charlotte Froese", title = "The self-consistent field with exchange for some 10 and 12 electron systems", journal = j-MATH-PROC-CAMB-PHILOS-SOC, volume = "53", number = "1", pages = "206--213", month = jan, year = "1957", CODEN = "MPCPCO", DOI = "https://doi.org/10.1017/s0305004100032138", ISSN = "0305-0041 (print), 1469-8064 (electronic)", ISSN-L = "0305-0041", bibdate = "Wed Sep 6 16:54:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Mathematical Proceedings of the Cambridge Philosophical Society", journal-URL = "http://journals.cambridge.org/action/displayJournal?jid=PSP", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Froese:1957:SCFb, author = "Charlotte Froese", title = "The self-consistent field with exchange for the ground state and first excited state of {Fe$^{+13}$}", journal = j-MONTHLY-NOT-ROY-ASTRON-SOC, volume = "117", number = "6", pages = "615--621", month = dec, year = "1957", CODEN = "MNRAA4", DOI = "https://doi.org/10.1093/mnras/117.6.615", ISSN = "0035-8711 (print), 1365-2966 (electronic)", ISSN-L = "0035-8711", bibdate = "Wed Sep 06 16:58:40 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://academic.oup.com/mnras/article/117/6/615/2602166; https://adsabs.harvard.edu/full/1957MNRAS.117..615F", acknowledgement = ack-nhfb, fjournal = "Monthly Notices of the Royal Astronomical Society", journal-URL = "https://academic.oup.com/mnras", received = "29 July 1957", } @PhdThesis{Froese:1957:SCFc, author = "Charlotte Froese", title = "Self-consistent Field Calculations with Exchange", type = "{Ph.D.} thesis", school = "Faculty of Mathematics, University of Cambridge", address = "Cambridge, UK", pages = "????", day = "19", month = nov, year = "1957", bibdate = "Tue Sep 05 14:23:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Charlotte_Froese_Fischer; https://en.wikipedia.org/wiki/Michael_J._Fischer; https://en.wikipedia.org/wiki/Patrick_C._Fischer; https://www.proquest.com/pqdtglobal/docview/301289544/", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", remark = "ProQuest says 1958, but Cambridge iDiscover catalog and Library Hub Discover say 1957. Electronic copy not available online, and no page count metadata. In 1967, Charlotte Froese married computer scientist Patrick C. Fischer (3 December 1935--26 August 2011) and henceforth used the unhyphenated family name Froese Fischer in her scientific publications (source: \cite[p. 1046]{FroeseFischer:2000:REC}). Her husband's younger brother, Michael John Fischer (1942--), is also a well-known computer scientist, who was the Editor-in-Chief of the Journal of the ACM (1982--1986), and is a Fellow of the ACM (1996--).", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Geltman:1957:BRC, author = "Sydney Geltman", title = "Book Review: {{\booktitle{The Calculation of Atomic Structures}}, by Douglas R. Hartree. 181 pages, $ 6 \times 9 $ in. New York, John Wiley \& Sons, Inc., 1957}", journal = j-J-FRANKLIN-INST, volume = "264", number = "1", pages = "69--69", month = jul, year = "1957", CODEN = "JFINAB", DOI = "https://doi.org/10.1016/0016-0032(57)90859-1", ISSN = "0016-0032 (print), 1879-2693 (electronic)", ISSN-L = "0016-0032", bibdate = "Mon Aug 14 07:49:30 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.sciencedirect.com/science/article/abs/pii/0016003257908591", acknowledgement = ack-nhfb, fjournal = "Journal of {The Franklin Institute}", journal-URL = "http://www.sciencedirect.com/science/journal/00160032", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Mayers:1957:RSC, author = "D. F. Mayers", title = "Relativistic self-consistent field calculation for mercury", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "241", number = "1224", pages = "93--109", month = jul, year = "1957", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1957.0115", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Mulliken:1957:RCA, author = "Robert S. Mulliken", title = "Review of {{\booktitle{The Calculation of Atomic Structures. Based on Lectures Given Under the Auspices of the William Pyle Fund of Haverford College, 1955}}, by D. R. Hartree}", journal = j-SCIENCE, volume = "126", number = "3275", pages = "656--657", day = "4", month = oct, year = "1957", CODEN = "SCIEAS", ISSN = "0036-8075 (print), 1095-9203 (electronic)", ISSN-L = "0036-8075", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/1753033", acknowledgement = ack-nhfb, fjournal = "Science", journal-URL = "http://www.sciencemag.org/archive/", reviewed-author = "Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Wood:1957:WFE, author = "J. H. Wood and G. W. Pratt", title = "Wave Functions and Energy Levels for {Fe} as Found by the {Unrestricted Hartree--Fock} Method", journal = j-PHYS-REV-2, volume = "107", number = "4", pages = "995--1001", month = aug, year = "1957", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.107.995", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Fri Jul 6 16:37:54 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", URL = "http://link.aps.org/doi/10.1103/PhysRev.107.995", acknowledgement = ack-nhfb, fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", remark = "This is one of the earlier calculations with the Hartree--Fock--Slater method; see \cite{Slater:1951:SHF,Pratt:1952:WFE}.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Blatt:1958:BRC, author = "Frank J. Blatt", title = "Book Review: {{\booktitle{The Calculation of Atomic Structure}}, by D. R. Hartree}", journal = j-AMER-J-PHYSICS, volume = "26", number = "2", pages = "135--136", month = feb, year = "1958", CODEN = "AJPIAS", DOI = "https://doi.org/10.1119/1.1996102", ISSN = "0002-9505 (print), 1943-2909 (electronic)", ISSN-L = "0002-9505", bibdate = "Fri Aug 04 18:44:30 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ui.adsabs.harvard.edu/abs/1958AmJPh..26..135H", acknowledgement = ack-nhfb, fjournal = "American Journal of Physics", journal-URL = "http://scitation.aip.org/content/aapt/journal/ajp", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Coulson:1958:RCA, author = "C. A. Coulson", title = "Review of {{\booktitle{The Calculation of Atomic Structures}}, by D. R. Hartree}", journal = j-SCI-PROG-RUSHDEN-UK, volume = "46", number = "181", pages = "164--165", month = jan, year = "1958", CODEN = "SCPRAY", ISSN = "0036-8504 (print), 2047-7163 (electronic)", ISSN-L = "0036-8504", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/43424681", acknowledgement = ack-nhfb, fjournal = "Science Progress (1933--)", journal-URL = "http://www.jstor.org/journal/scienceprogress", reviewed-author = "Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Darwin:1958:DRH, author = "Charles Galton Darwin", title = "{Douglas Rayner Hartree}, 1897--1958", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "4", pages = "102--116", month = nov, year = "1958", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1958.0010", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Thu Aug 3 09:02:20 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1958:AECa, author = "R. B. Dingle", title = "Asymptotic expansions and converging factors. {I}. {General} theory and basic converging factors", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "244", number = "1239", pages = "456--475", month = apr, year = "1958", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1958.0054", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1958:AECb, author = "R. B. Dingle", title = "Asymptotic expansions and converging factors {II}. {Error}, {Dawson}, {Fresnel}, exponential, sine and cosine, and similar integrals", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "244", number = "1239", pages = "476--483", month = apr, year = "1958", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1958.0055", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Dingle:1958:AECc, author = "R. B. Dingle", title = "Asymptotic expansions and converging factors. {III}. {Gamma}, psi and polygamma functions, and {Fermi--Dirac} and {Bose--Einstein} integrals", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "244", number = "1239", pages = "484--490", month = apr, year = "1958", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1958.0056", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Froese:1958:LBA, author = "Charlotte Froese", title = "The limiting behaviour of atomic wave functions for large atomic number. {II}", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "244", number = "1238", pages = "390--397", month = mar, year = "1958", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1958.0049", ISSN = "0080-4630 (print), 2053-9169 (electronic)", ISSN-L = "0080-4630", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{James:1958:LLB, author = "R. W. James", title = "{[Letter]} to {Lawrence Bragg}", howpublished = "UK National Archives papers", day = "23", month = feb, year = "1958", bibdate = "Wed Aug 09 13:32:00 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference W. L. Bragg/57A/91. Comments on his plan to visit England to lecture in Cambridge and Leeds. They are getting an electron microscope in the department. Arrives in England on 4 April and returns on 19 June. Plans to spend some days in London. Comments on his family. Was sad to hear of [Douglas] Hartree's death.", URL = "https://discovery.nationalarchives.gov.uk/details/r/579cea9f-05a9-4e7d-8d3b-30deb19eea9f", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Kipping:1958:CCJ, author = "F. B. Kipping and W. L. Bragg", title = "Correspondence concerning the {John Humphrey Plummer Professorship of Mathematical Physics}; {Bragg} was member of the {Advisory Committee}", howpublished = "UK National Archives papers", day = "30", month = may, year = "1958", bibdate = "Wed Aug 09 13:28:34 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Reference W. L. Bragg/38A/133. [The] death of [D.R.] Hartree has created [a] vacancy in the Plummer Professorship. Probable that the Chair will be advertised as in ``Experimental or Theoretical Physics''. Asks if Bragg would serve on the Committee to advise the Council on the election.", URL = "https://discovery.nationalarchives.gov.uk/details/r/39385465-572a-4e8d-8978-eb7d6bd2a89c", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lowdin:1958:GHF, author = "Per-Olov L{\"o}wdin", title = "Generalizations of the {Hartree--Fock} scheme", journal = j-ANN-ACAD-REGIAE-SCI-UPS, volume = "2", number = "??", pages = "127--135", year = "1958", CODEN = "ARUPAS", ISSN = "0504-0736", ISSN-L = "0504-0736", MRclass = "81.00", MRnumber = "22 #1375", MRreviewer = "A. C. Hurley", bibdate = "Thu Nov 16 11:51:44 MST 2000", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; MathSciNet database", URL = "https://www.bokorder.se/en/books-2514/kungl-vetenskapssamhallets-i-uppsala-arsbok-2", acknowledgement = ack-nhfb, fjournal = "Annales Academiae regiae scientiarum upsaliensis", journalabr = "Ann. Acad. Reg. Sci. Upsal.", remark = "No archives found online, but copies are for sale at the URL.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Buneman:1959:DCI, author = "O. Buneman", title = "Dissipation of Currents in Ionized Media", journal = j-PHYS-REV, volume = "115", number = "3", pages = "503--517", month = aug, year = "1959", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/physrev.115.503", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Fri Sep 8 16:33:10 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "The destruction of electron drifts by instabilities is analyzed. The fastest stable drift is calculated (drift energy 0.9kT) and the energy of a faster drift is found to be dissipated into instabilities within, typically, 30 plasma periods. The growth of a local disturbance in this process is shown to take place without effective propagation. The `turbulent' flow pattern created, eventually, under nonlinear conditions is calculated numerically, demonstrating the tendency towards randomization of the initial drift energy. The effect stops `runaway' in about 100 plasma periods after which there is `heating' by `collective collisions' instead.", acknowledgement = ack-nhfb, author-dates = "Oscar Buneman (28 September 1913--24 January 1993)", fjournal = "Physical Review", journal-URL = "http://journals.aps.org/pr/issues", received = "6 February 1959", remark = "This is the ``founding father'' paper in particle simulation of plasmas \cite[p. 23]{Buneman:1994:TOB}.", } @Article{Davis:1959:RNA, author = "Philip J. Davis", title = "Review of {{\booktitle{Numerical Analysis}}, by D. R. Hartree}", journal = j-AMER-MATH-MONTHLY, volume = "66", number = "7", pages = "600--601", month = aug # "\slash " # sep, year = "1959", CODEN = "AMMYAE", ISSN = "0002-9890 (print), 1930-0972 (electronic)", ISSN-L = "0002-9890", bibdate = "Mon Jun 28 12:39:28 MDT 1999", bibsource = "http://www.jstor.org/journals/00029890.htm; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "American Mathematical Monthly", journal-URL = "https://www.jstor.org/journals/00029890.htm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Howlett:1959:RCA, author = "Jack Howlett", title = "Review of {{\booktitle{The Calculation of Atomic Structures}}, by D. R. Hartree}", journal = j-MATH-GAZ, volume = "43", number = "344", pages = "152--152", month = may, year = "1959", CODEN = "MAGAAS", ISSN = "0025-5572 (print), 2056-6328 (electronic)", ISSN-L = "0025-5572", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3610241", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @PhdThesis{Mayers:1959:AAC, author = "David Francis Mayers", title = "The Application of Automatic Computing to the Calculation of Atomic Structure", type = "{Ph.D.} thesis", school = "University of Cambridge", address = "Cambridge, UK", pages = "????", year = "1959", bibdate = "Wed Sep 06 09:31:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://genealogy.math.ndsu.nodak.edu/id.php?id=76337", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree", remark = "No metadata or electronic copy available via ProQuest, or Library Hub Discover and Cambridge iDiscover catalogs.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Truell:1959:RCA, author = "Rohn Truell", title = "Review of {{\booktitle{The calculation of atomic structures}}, by D. R. Hartree}", journal = j-QUART-APPL-MATH, volume = "17", number = "2", pages = "221--221", month = jul, year = "1959", CODEN = "QAMAAY", ISSN = "0033-569X (print), 1552-4485 (electronic)", ISSN-L = "0033-569X", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/43634937", acknowledgement = ack-nhfb, fjournal = "Quarterly of Applied Mathematics", journal-URL = "http://dl.acm.org/citation.cfm?id=J641; http://www.ams.org/journals/qam", reviewed-author = "Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Article{Bareiss:1960:RCA, author = "Erwin Bareiss", title = "Review of {{\booktitle{The Calculation of Atomic Structures}}, by D. R. Hartree}", journal = j-MATH-COMPUT, volume = "14", number = "71", pages = "304--305", month = jul, year = "1960", CODEN = "MCMPAF", ISSN = "0025-5718 (print), 1088-6842 (electronic)", ISSN-L = "0025-5718", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/2003198", acknowledgement = ack-nhfb, fjournal = "Mathematics of Computation", journal-URL = "http://www.ams.org/mcom/", reviewed-author = "D. R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @PhdThesis{Lomax:1960:TSS, author = "Ronald James Lomax", title = "Transient and Steady-State Space-Charge Flow", type = "{Ph.D.} thesis", school = "University of Cambridge", address = "Cambridge, UK", pages = "????", year = "1960", bibdate = "Wed Sep 06 09:21:23 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://genealogy.math.ndsu.nodak.edu/id.php?id=140771; https://www.proquest.com/pqdtglobal/docview/301241949", acknowledgement = ack-nhfb, advisor = "Douglas Rayner Hartree, Oscar Buneman, and K. F. Sander", remark = "Not found in Library Hub Discover or Cambridge iDiscover catalogs. No metadata or electronic form available.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Oscar Buneman (28 September 1913--24 January 1993)", } @Article{Lowdin:1960:ETT, author = "Per-Olov L{\"o}wdin", title = "Expansion Theorems for the Total Wave Function and Extended {Hartree--Fock} Schemes", journal = j-REV-MOD-PHYS, volume = "32", number = "2", pages = "328--334", month = apr, year = "1960", CODEN = "RMPHAT", DOI = "https://doi.org/10.1103/RevModPhys.32.328", ISSN = "0034-6861 (print), 1538-4527 (electronic), 1539-0756", ISSN-L = "0034-6861", MRclass = "81.00", MRnumber = "22 #3509", MRreviewer = "A. C. Hurley", bibdate = "Tue May 22 16:36:49 MDT 2012", bibsource = "http://falcon.kvac.uu.se/swe/personal/PerOlovLowdinPub.html; http://rmp.aps.org/toc/RMP/v32/i2; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; https://www.math.utah.edu/pub/tex/bib/revmodphys1960.bib; MathSciNet database; nhfb-allref.bib; Zentralblatt Math database", URL = "http://link.aps.org/doi/10.1103/RevModPhys.32.328; http://rmp.aps.org/abstract/RMP/v32/i2/p328_1", ZMnumber = "091.23704", acknowledgement = ack-nhfb, fjournal = "Reviews of Modern Physics", journal-URL = "http://rmp.aps.org/browse", keywords = "structure of matter", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Grant:1961:RSC, author = "Ian Philip Grant", title = "Relativistic self-consistent fields", journal = j-PROC-R-SOC-LOND-SER-A-MATH-PHYS-SCI, volume = "262", number = "1311", pages = "555--576", day = "8", month = aug, year = "1961", CODEN = "PRLAAZ", DOI = "https://doi.org/10.1098/rspa.1961.0139", ISSN = "0080-4630 (print), 2053-9169 (electronic)", bibdate = "Thu Aug 17 07:20:41 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://royalsocietypublishing.org/doi/10.1098/rspa.1961.0139", acknowledgement = ack-nhfb, fjournal = "Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences", journal-URL = "http://rspa.royalsocietypublishing.org/", received = "8 March 1961", remark = "See \cite{Swirles:1935:RSC,SwirlesJeffreys:1987:DRH}.", } @Article{Beutler:1962:RFT, author = "Frederick J. Beutler", title = "Review of {{\booktitle{Fundamentals and Techniques of Mathematics for Scientists}}, by M. M. Nicolson, D. R. Hartree, and D. G. Padfield}", journal = j-AM-SCI, volume = "50", number = "3", pages = "340A--342A", month = sep, year = "1962", CODEN = "AMSCAC", ISSN = "0003-0996 (print), 1545-2786 (electronic)", ISSN-L = "0003-0996", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/27838503", acknowledgement = ack-nhfb, fjournal = "American Scientist", journal-URL = "http://www.americanscientist.org/issues/past.aspx", reviewed-author = "M. M. Nicolson and D. R. Hartree and D. G. Padfield", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Malcolm Macleod Nicolson (6 July 1919--21 December 1951)", urldate = "2023-08-04", } @Article{Broadbent:1962:BRM, author = "T. A. A. Broadbent", title = "Book Review: {{\booktitle{Mathematical Methods for Technologists Fundamentals and Techniques of Mathematics for Scientists}} by M. M. Nicolson, D. R. Hartree, D. G. Padfield}", journal = j-MATH-GAZ, volume = "46", number = "358", pages = "334--335", month = dec, year = "1962", CODEN = "MAGAAS", DOI = "https://doi.org/10.2307/3611798", ISSN = "00255572", bibdate = "Fri Aug 4 17:34:34 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3611798", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", reviewed-author = "M. M. Nicolson and D. R. Hartree and D. G. Padfield", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Malcolm Macleod Nicolson (6 July 1919--21 December 1951)", urldate = "2023-08-04", } @Article{Gates:1962:HBS, author = "Sidney Barrington Gates and Alec David Young", title = "{Herbert Brian Squire, 1909--1961}", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "8", pages = "118--135", month = nov, year = "1962", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1962.0009", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Wed Aug 23 08:43:35 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/biograph-memoirs-fellows-roy-soc.bib", URL = "https://royalsocietypublishing.org/doi/epdf/10.1098/rsbm.1962.0009", acknowledgement = ack-nhfb, ajournal = "Biogr. Mem. Fell. R. Soc. Lond.", fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "https://royalsocietypublishing.org/journal/rsbm; https://www.jstor.org/journal/biogmemofellroya", published = "01 November 1962", } @Article{Ahlberg:1963:RFT, author = "J. H. Ahlberg", title = "Review of {{\booktitle{Fundamentals and Techniques of Mathematics for Scientists}}, by M. M. Nicolson}", journal = j-AMER-MATH-MONTHLY, volume = "70", number = "5", pages = "583--583", month = may, year = "1963", CODEN = "AMMYAE", ISSN = "0002-9890 (print), 1930-0972 (electronic)", ISSN-L = "0002-9890", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/2312098", acknowledgement = ack-nhfb, fjournal = "American Mathematical Monthly", journal-URL = "http://www.jstor.org/journals/00029890.html", reviewed-author = "M. M. Nicolson", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Malcolm Macleod Nicolson (6 July 1919--21 December 1951)", urldate = "2023-08-04", } @Article{Hylleraas:1963:REQ, author = "Egil A. Hylleraas", title = "Reminiscences from Early Quantum Mechanics of Two-Electron Atoms", journal = j-REV-MOD-PHYS, volume = "35", number = "3", pages = "421--430", month = jul, year = "1963", CODEN = "RMPHAT", DOI = "https://doi.org/10.1103/RevModPhys.35.421", ISSN = "0034-6861 (print), 1538-4527 (electronic), 1539-0756", ISSN-L = "0034-6861", bibdate = "Tue May 22 16:36:53 MDT 2012", bibsource = "http://rmp.aps.org/toc/RMP/v35/i3; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/revmodphys1960.bib", URL = "http://link.aps.org/doi/10.1103/RevModPhys.35.421; http://rmp.aps.org/abstract/RMP/v35/i3/p421_1", acknowledgement = ack-nhfb, fjournal = "Reviews of Modern Physics", journal-URL = "http://rmp.aps.org/browse", } @Unpublished{Lowdin:1963:SDH, author = "P.-O. L{\"o}wdin", title = "{I}. The Symmetry Dilemma in the {Hartree--Fock} Scheme. {II}. Symmetry Properties of the {NSO}'s. {III}. {Variation} of the Density Matrix", year = "1963", bibdate = "Thu Nov 16 12:07:42 2000", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib; nhfb-allref.bib", note = "Sanibel Notes.", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lykos:1963:DHF, author = "P. Lykos and G. W. Pratt and P.-O. L{\"o}wdin and Gilda M. Harris", title = "Discussion on {``The Hartree--Fock Approximation''}", journal = j-REV-MOD-PHYS, volume = "35", number = "3", pages = "496--501", month = jul, year = "1963", CODEN = "RMPHAT", DOI = "https://doi.org/10.1103/RevModPhys.35.496", ISSN = "0034-6861 (print), 1538-4527 (electronic), 1539-0756", ISSN-L = "0034-6861", bibdate = "Tue Dec 26 12:20:10 2000", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lowdin-per-olov.bib", acknowledgement = ack-nhfb, fjournal = "Reviews of Modern Physics", journal-URL = "http://rmp.aps.org/browse", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Phillips:1963:BRF, author = "Melba Phillips", title = "Book Review: {{\booktitle{Fundamentals and Techniques of Mathematics for Scientists}}, by M. M. Nicolson}", journal = j-AMER-J-PHYSICS, volume = "31", number = "2", pages = "146--146", month = feb, year = "1963", CODEN = "AJPIAS", DOI = "https://doi.org/10.1119/1.1969323", ISSN = "0002-9505 (print), 1943-2909 (electronic)", bibdate = "Mon Aug 14 10:19:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See \cite{Nicolson:1962:FTM}.", URL = "https://pubs.aip.org/aapt/ajp/article/31/2/146/1046715/Fundamentals-and-Techniques-of-Mathematics-for", acknowledgement = ack-nhfb, fjournal = "American Journal of Physics", journal-URL = "http://scitation.aip.org/content/aapt/journal/ajp", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Malcolm Macleod Nicolson (6 July 1919--21 December 1951)", } @Article{Thomson:1963:CGD, author = "George Paget Thomson", title = "{Charles Galton Darwin}, 1887--1962", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "9", pages = "69--85", month = nov, year = "1963", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1963.0004", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Tinkham:1964:GTQ, author = "Michael Tinkham", title = "Group Theory and Quantum Mechanics", publisher = pub-MCGRAW-HILL, address = pub-MCGRAW-HILL:adr, pages = "xii + 340", year = "1964", LCCN = "QC174.5 .T589 1964", bibdate = "Sat Jul 25 13:55:27 1998", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/w/wigner-eugene.bib; https://www.math.utah.edu/pub/tex/bib/master.bib", acknowledgement = ack-nhfb, tableofcontents = "Preface / v \\ Introduction / 1 \\ 1-1 The Nature of the Problem / 1 \\ 1-2 The Role of Symmetry / 3 \\ 2 Abstract Group Theory / 6 \\ 2-1 Definitions and Nomenclature / 6 \\ 2-2 Illustrative Examples / 7 \\ 2-3 Rearrangement Theorem / 8 \\ 2-4 Cyclic Groups / 9 \\ 2-5 Subgroups and Cosets / 9 \\ 2-6 Example Groups of Finite Order / 10 \\ 2-7 Conjugate Elements and Class Structure / 12 \\ 2-8 Normal Divisors and Factor Groups / 13 \\ 2-9 Class Multiplication / 15 \\ Exercises / 16 \\ References / 17 \\ 3 Theory of Group Representations / 18 \\ 3-1 Definitions / 18 \\ 3-2 Proof of the Orthogonality Theorem / 20 \\ 3-3 The Character of a Representation / 25 \\ 3-4 Construction of Character Tables / 28 \\ 3-5 Decomposition of Reducible Representations / 29 \\ 3-6 Application of Representation Theory in Quantum Mechanics / 31 \\ 3-7 Illustrative Representations of Abelian Groups / 37 \\ 3-8 Basis Functions for Irreducible Representations / 39 \\ 3-9 Direct-product Groups / 43 \\ 3-10 Direct-product Representations within a Group / 46 \\ Exercises / 47 \\ References / 48 \\ 4 Physical Applications of Group Theory / 50 \\ 4-1 Crystal-symmetry Operators / 51 \\ 4-2 The Crystallographic Point Groups / 54 \\ 4-3 Irreducible Representations of the Point Groups / 62 \\ 4-4 Elementary Representations of the Three-dimensional Rotation Group / 65 \\ 4-5 Crystal-field Splitting of Atomic Energy Levels / 67 \\ 4-6 Intermediate Crystal-field-splitting Case / 69 \\ 4-7 Weak-crystal-field Case and Crystal Double Groups / 75 \\ 4-8 Introduction of Spin Effects in the Medium-field Case / 78 \\ 4-9 Group-theoretical Matrix-element Theorems / 80 \\ 4-10 Selection Rules and Parity / 82 \\ 4-11 Directed Valence / 87 \\ 4-12 Application of Group Theory to Directed Valence / 89 \\ Exercises / 92 \\ References / 93 \\ 5 Full Rotation Group and Angular Momentum / 94 \\ 5-1 Rotational Transformation Properties and Angular Momentum / 94 \\ 5-2 Continuous Groups / 98 \\ 5-3 Representation of Rotations through Eulerian Angles / 101 \\ 5-4 Homomorphism with the Unitary Group / 103 \\ 5-5 Representations of the Unitary Group / 106 \\ 5-6 Representation of the Rotation Group by Representations of the Unitary Group / 109 \\ 5-7 Application of the Rotation-representation Matrices / 111 \\ 5-8 Vector Model for Addition of Angular Momenta / 115 \\ 5-9 The Wigner or Clebsch--Gordan Coefficients / 117 \\ 5-10 Notation, Tabulations, and Symmetry Properties of the Wigner Coefficients / 121 \\ 5-11 Tensor Operators / 124 \\ 5-12 The Wigner--Eckart Theorem / 131 \\ 5-13 The Racah Coefficients / 133 \\ 5-14 Application of Racah Coefficients / 137 \\ 5-15 The Rotation--Inversion Group / 139 \\ 5-16 Time-reversal Symmetry / 141 \\ 5-17 More General Invariances / 147 \\ Exercises / 151 \\ References / 153 \\ 6 Quantum Mechanics of Atoms / 154 \\ 6-1 Review of Elementary Atomic Structure and Nomenclature / 155 \\ 6-2 The Hamiltonian / 157 \\ 6-3 Approximate Eigenfunctions / 157 \\ 6-4 Calculation of Matrix Elements between Determinantal Wavefunctions / 162 \\ 6-5 Hartree--Fock Method / 167 \\ 6-6 Calculation of L-S-term Energies / 170 \\ 6-7 Evaluation of Matrix Elements of the Energy / 173 \\ 6-8 Eigenfunctions and Angular-momentum Operations / 178 \\ 6-9 Calculation of Fine Structure / 181 \\ 6-10 Zeeman Effect / 188 \\ 6-11 Magnetic Hyperfine Structure / 193 \\ 6-12 Electric Hyperfine Structure / 201 \\ Exercises / 206 \\ References / 208 \\ 7 Molecular Quantum Mechanics / 210 \\ 7-1 Born--Oppenheimer Approximation / 210 \\ 7-2 Simple Electronic Eigenfunctions / 213 \\ 7-3 Irreducible Representations for Linear Molecules / 216 \\ 7-4 The Hydrogen Molecule / 219 \\ 7-5 Molecular Orbitals / 220 \\ 7-6 Heitler--London Method / 223 \\ 7-7 Orthogonal Atomic Orbitals / 226 \\ 7-8 Group Theory and Molecular Orbitals / 227 \\ 7-9 Selection Rules for Electronic Transitions / 233 \\ 7-10 Vibration of Diatomic Molecules / 234 \\ 7-11 Normal Modes in Polyatomic Molecules / 238 \\ 7-12 Group Theory and Normal Modes / 242 \\ 7-13 Selection Rules for Vibrational Transitions / 248 \\ 7-14 Molecular Rotation / 250 \\ 7-15 Effect of Nuclear Statistics on Molecular Rotation / 252 \\ 7-16 Asymmetric Rotor / 255 \\ 7-17 Vibration--Rotation Interaction / 257 \\ 7-18 Rotation--Electronic Coupling / 260 \\ Exercises / 264 \\ References / 266 \\ 8 Solid-state Theory / 267 \\ 8-1 Symmetry Properties in Solids / 267 \\ 8-2 The Reciprocal Lattice and Brillouin Zones / 270 \\ 8-3 Form of Energy-band Wavefunctions / 275 \\ 8-4 Crystal Symmetry and the Group of the $k$ Vector / 279 \\ 8-5 Pictorial Consideration of Eigenfunctions / 281 \\ 8-6 Formal Consideration of Degeneracy and Compatibility / 284 \\ 8-7 Group Theory and the Plane-wave Approximation / 290 \\ 8-8 Connection between Tight- and Loose-binding Approximations / 293 \\ 8-9 Spin-orbit Coupling in Band Theory / 295 \\ 8-10 Time Reversal in Band Theory / 297 \\ 8-11 Magnetic Crystal Groups / 299 \\ 8-12 Symmetries of Magnetic Structures / 303 \\ 8-13 The Landau Theory of Second-order Phase Transitions / 309 \\ 8-14 Irreducible Representations of Magnetic Groups / 311 \\ Exercises / 313 \\ References / 315 \\ Appendix A Review of Vectors, Vector Spaces, and Matrices / 317 \\ B Character Tables for Point-symmetry Groups / 323 \\ C Tables of $c^k$ and $a^k$ Coefficients for $s$, $p$, and $d$ Electrons / 331 \\ Index / 335", xxISBN = "none", } @Article{Kohn:1965:SCE, author = "W. Kohn and L. J. Sham", title = "Self-Consistent Equations Including Exchange and Correlation Effects", journal = j-PHYS-REV-2, volume = "140", number = "4A", pages = "A1133--A1138", month = nov, year = "1965", CODEN = "PHRVAO", DOI = "https://doi.org/10.1103/PhysRev.140.A1133", ISSN = "0031-899X (print), 1536-6065 (electronic)", ISSN-L = "0031-899X", bibdate = "Fri Jul 6 15:52:23 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib", note = "The authors of this paper rediscover an earlier result \cite{Gaspar:1954:AHF}, and obtain the same value $ \alpha = 2 / 3 $, compared to Slater's original $ \alpha = 1 $ \cite{Slater:1951:SHF,Slater:1972:SEC}.", URL = "http://link.aps.org/doi/10.1103/PhysRev.140.A1133; http://www.nobelprize.org/nobel_prizes/chemistry/laureates/1998/", abstract = "From a theory of Hohenberg and Kohn, approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the ground state, they lead to self-consistent equations analogous to the Hartree and Hartree--Fock equations, respectively. In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials. (The exchange portion of our effective potential differs from that due to Slater by a factor of 2/3.) Electronic systems at finite temperatures and in magnetic fields are also treated by similar methods. An appendix deals with a further correction for systems with short-wavelength density oscillations.", acknowledgement = ack-nhfb, fjournal = "Physical Review (2)", journal-URL = "http://prola.aps.org/browse/PR", remark = "Walter Kohn shared the 1998 Nobel Prize in Chemistry with John A Pople ``for his development of the density-functional theory'' [Kohn] and ``for his development of computational methods in quantum chemistry'' [Pople].", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lehmer:1966:MM, author = "D. H. Lehmer", title = "Mechanized mathematics", journal = j-BULL-AMS, volume = "72", number = "5", pages = "739--750", year = "1966", CODEN = "BAMOAD", DOI = "https://doi.org/10.1090/S0002-9904-1966-11553-7", ISSN = "0002-9904 (print), 1936-881x (electronic)", ISSN-L = "0002-9904", MRclass = "DML", MRnumber = "1566405", bibdate = "Sat Jan 29 08:01:54 2022", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lehmer-derrick-henry.bib", acknowledgement = ack-nhfb, author-dates = "Derrick Henry Lehmer (23 February 1905--22 May 1991)", fjournal = "Bulletin of the American Mathematical Society", journal-URL = "http://www.ams.org/journals/bull/all_issues.html", remark = "This is the thirty-eighth Josiah Willard Gibbs lecture delivered before the Annual Meeting of the Society in Denver on Tuesday Janary 26, 1965. Douglas Hartree is mentioned twice, both on page 742.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Unz:1966:DBQ, author = "H. Unz", title = "On the derivation of {Booker}'s quartic from {Appleton--Hartree} equation", journal = j-PROC-IEEE, volume = "54", number = "2", pages = "304--304", month = feb, year = "1966", CODEN = "IEEPAD", DOI = "https://doi.org/10.1109/PROC.1966.4658", ISSN = "0018-9219 (print), 1558-2256 (electronic)", ISSN-L = "0018-9219", bibdate = "Sat Aug 5 08:24:12 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Proceedings of the IEEE", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=5", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Slater:1972:SEC, author = "John C. Slater", title = "Statistical Exchange-Correlation in the Self-Consistent Field", journal = j-ADV-QUANTUM-CHEM, volume = "6", pages = "1--92", year = "1972", CODEN = "AQCHA9", DOI = "https://doi.org/10.1016/S0065-3276(08)60541-9", ISSN = "0065-3276", ISSN-L = "0065-3276", bibdate = "Thu Oct 13 11:45:04 MDT 2011", bibsource = "http://www.sciencedirect.com/science/bookseries/00653276; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/s/slater-john-clarke.bib; https://www.math.utah.edu/pub/tex/bib/advquantumchem.bib; https://www.math.utah.edu/pub/tex/bib/einstein.bib; OCR scan conversion", URL = "http://www.sciencedirect.com/science/article/pii/S0065327608605419", acknowledgement = ack-nhfb, ajournal = "Adv. Quantum Chem.", author-dates = "John Clarke Slater (1900--1976)", fjournal = "Advances in Quantum Chemistry", journal-URL = "http://www.sciencedirect.com/science/bookseries/00653276", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "I. The Derivation of the X$\alpha$ Self-Consistent Method by Variations 1 \\ II. Common Misconceptions Regarding the Statistical Exchange-Correlation 6 \\ III. Specific Advantages of the X$\alpha$ Method. Total Energy and Value of $\alpha$ 10 \\ IV. The X$\alpha$ Method and the Fermi Statistics 12 \\ V. The Hyper-Hartree--Fock Method 15 \\ VI. Comparison of the X$\alpha$ and HHF Methods 19 \\ VII. Energy of an Atom as a Function of Occupation Numbers 21 \\ VIII. Computation of Unrelaxed Second Derivatives by the X$\alpha$ and HHF Methods 26 \\ IX. Optical Absorption and the Transition State 30 \\ X. Band Absorption versus Localized Absorption in Crystals 32 \\ XI. The X$\alpha$ Method and Magnetic Problems 37 \\ Key to the References 42 \\ References 48", } @Article{Coulson:1973:SFB, author = "C. A. (Charles Alfred) Coulson", title = "{Samuel Francis Boys}, 1911--1972", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "19", pages = "94--115", month = dec, year = "1973", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1973.0004", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Sat Aug 12 07:10:13 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "From the introduction: ``Samuel Francis Boys (`Frank' to all his friends, most of whom had no idea that this was not his proper Christian name) was born on 20 December 1911 in the Yorkshire town of Pudsey, and died in a nursing home in Cambridge on 16 October 1972, in his sixty-first year.''", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Desclaux:1973:RDF, author = "J. P. Desclaux", title = "Relativistic {Dirac--Fock} expectation values for atoms with {$ Z = 1 $} to {$ Z = 120 $}", journal = j-AT-DATA-NUCL-DATA-TABLES, volume = "12", number = "4", pages = "311--406", year = "1973", CODEN = "ADNDAT", DOI = "https://doi.org/10.1016/0092-640x(73)90020-x", ISSN = "0092-640X (print), 1090-2090 (electronic)", ISSN-L = "0092-640X", bibdate = "Mon Aug 7 18:00:38 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.sciencedirect.com/science/article/abs/pii/0092640X7390020X", acknowledgement = ack-nhfb, fjournal = "Atomic Data and Nuclear Data Tables", journal-URL = "https://www.sciencedirect.com/journal/atomic-data-and-nuclear-data-tables", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Altmann:1974:CAC, author = "S. L. Altmann and Edmund John Bowen", title = "{Charles Alfred Coulson}, 1910--1974", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "20", pages = "74--134", month = dec, year = "1974", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1974.0004", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Sat Aug 12 07:16:21 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "Charles Coulson used to say that he had led not one life but two or three: as a scientist he straddled physics, chemistry and mathematics, in all of which he occupied academic positions during his career --- and his contributions to biology were not negligible. Also, during a good part of his life he devoted almost as much attention to religion as to science and, yet again, there was the public figure active in numerous charitable pursuits. Many-sided as Charles Coulson's life was, no picture of the man would be true that did not convey the essential unity of everything he did --- concern being perhaps the key word to describe the common strand that ran through all his works. To describe them and the man is thus not an easy task.", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", remark-1 = "The last sentence says: ``Manuscripts, letters, working papers and a collection of minor works have been deposited at the Bodleian Library, Oxford.''", remark-2 = "Although there are 16 mentions of Hartree and Hartree--Fock is memoir, there is nothing about Douglas Hartree himself.", subject-dates = "Charles Alfred Coulson (13 December 1910--7 January 1974); Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Anonymous:1974:VFD, author = "Anonymous", title = "{Vladimir Fok} Dies; {Soviet} Physicist, 76", journal = j-NY-TIMES, volume = "??", number = "??", pages = "33--33", day = "29", month = dec, year = "1974", CODEN = "NYTIAO", ISSN = "0362-4331 (print), 1542-667X, 1553-8095", ISSN-L = "0362-4331", bibdate = "Sat Aug 12 07:24:16 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.nytimes.com/1974/12/29/archives/vladimir-fok-dies-soviet-physicist-76.html", acknowledgement = ack-nhfb, fjournal = "New York Times", journal-URL = "http://www.nytimes.com/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Feler:1974:CEL, author = "M. Guy Feler", title = "Calculation of Eigenvectors of Large Matrices", journal = j-J-COMPUT-PHYS, volume = "14", number = "4", pages = "341--349", month = mar, year = "1974", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(74)90017-5", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 09:15:13 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1970.bib", URL = "http://www.sciencedirect.com/science/article/pii/0021999174900175", abstract = "A method of calculating eigenvectors by variance minimization is presented. The procedure of adjusting sequentially each component of a trial vector is discussed and it is shown that variance minimization and the MOR method both generate an approximate subspace of the true eigenspace. Procedure to deal with this subspace are given which both improve the MOR method and make the method of variance minimization suitable for obtaining non-extremal eigenvalues and eigenvectors of matrices with nearly degenerate eigenvalues.", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Article{Reinhold:1974:DVB, author = "Robert Reinhold", title = "{Dr. Vannevar Bush} Is Dead at 84: {Dr. Vannevar Bush}, Who Marshaled Nation's Wartime Technology and Ushered in Atomic Age, Is Dead at 84 Son of a Minister; An Abiding Optimism; Five Arduous Years; 60-Year Career; Equipment Outdated Companies; Successful Award From {A.E.C.}; Secret Work on {U-235}", journal = j-NY-TIMES, volume = "??", number = "??", pages = "1, 36", day = "30", month = jun, year = "1974", CODEN = "NYTIAO", ISSN = "0362-4331 (print), 1542-667X, 1553-8095", ISSN-L = "0362-4331", bibdate = "Mon Aug 07 10:58:55 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.proquest.com/hnpnewyorktimes/docview/120125242/", acknowledgement = ack-nhfb, fjournal = "New York Times", journal-URL = "http://www.nytimes.com/", remark-1 = "From the article: ``[Bush] was widely credited \ldots{} with establishing a system of national support for basic scientific research that has since made American science the most vigorous and productive in the world. Van Bush, as he was almost universally called --- ``presumably because they cannot pronounce my full name'', he once said (it was pronounced VAN-ee-var) \ldots{}''", remark-2 = "From the article: ``One of his most important developments was an analytical machine to predict the performance of electric circuits, a device that saved hundreds of hours of calculations. Later, he built a differential analyzer, a 100-ton [blurred in PDF file] machine capable of solving differential equations with as many as 18 variables. Used in atomic physics, acoustics, ballistics, and other fields, this machine was the direct antecedent of the modern analog computer.''", remark-3 = "From the article: ``It is estimated that two-thirds of all the physicists in the United States were working for Dr. Bush.''", remark-4 = "From the article: ``[Bush] prepared, at the President's request, recommendations on ways in which the wartime lessons could be applied to peace. The result was `Science, the Endless Frontier', a report that urged heavy Federal support for basic research. The concept was eventually molded into the National Science Foundation.''", remark-5 = "Although Douglas Hartree is not mentioned in this obituary, nor, it seems, elsewhere in the New York Times historical archive (1851--date), it was Hartree's visit to Bush's group at MIT in the early 1930s that led Hartree to introduce differential analyzers to Britain.", subject-dates = "Vannevar Bush (11 March 1890--28 June 1974)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Veselov:1975:PVA, author = "M. G. Veselov and P. L. Kapitza and M. A. Leontovich", title = "Personalia: {Vladimir Aleksandrovich Fock} (obituary)", journal = j-SOV-PHYS-USP, volume = "18", number = "10", pages = "840--841", month = oct, year = "1975", CODEN = "SOPUAP", DOI = "https://doi.org/10.1070/PU1975v018n10ABEH005231", ISSN = "0038-5670 (print), 2169-5296 (electronic)", ISSN-L = "0038-5670", bibdate = "Sat Aug 12 07:30:21 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Original Russian version in Uspekhi Fizicheskikh Nauk {\bf 117}, 375--376 (October 1975).", URL = "https://iopscience.iop.org/article/10.1070/PU1975v018n10ABEH005231/pdf", acknowledgement = ack-nhfb, fjournal = "Soviet Physics. Uspekhi", journal-URL = "http://iopscience.iop.org/0038-5670", subject-dates = "27 December 1891--27 December 1974", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{FroeseFischer:1977:HFM, author = "Charlotte {Froese Fischer}", title = "The {Hartree--Fock} Method for Atoms: a Numerical Approach", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xi + 308", year = "1977", ISBN = "0-471-25990-X", ISBN-13 = "978-0-471-25990-9", LCCN = "QC173.F527", bibdate = "Sat Jul 25 13:55:27 1998", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/master.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Part A: Theory and Results / 1 \\ 1: The Hartree--Fock Approach / 3 \\ 1-1 Introduction / 3 \\ 1-2 The Variational Principle / 7 \\ 1-3 The Hartree--Fock Approximation / 8 \\ 1-4 Various Hartree--Fock Approximations / 13 \\ 2: The Single-Configuration Hartree--Fock Approximation / 17 \\ 2-1 The Hartree--Fock Equations / 17 \\ 2-1.1 Energy Expression / 17 \\ 2-1.2 Derivation of Hartree--Fock Equations / 20 \\ 2-1.3 Unique Solutions of Hartree--Fock Equations / 26 \\ 2-2 Hartree--Fock Results for Ground-State or Near Ground-State Configurations of the Atoms He to Rn / 27 \\ 2-3 The Energy Parameters $\epsilon_{nl,nl}$ / 94 \\ 2-4 The Asymptotic Form of the Radial Functions / 102 \\ 2-5 Brillouin's Theory / 104 \\ 2-5.1 The Importance of Brillouin's Theorem / 104 \\ 2-5.2 The Intermediate State Function $\Phi_{\gamma^\ast}$ / 105 \\ 2-5.3 Derivation of Brillouin's Theorem / 108 \\ 2-6 The Nonorthogonal and Extended Hartree--Fock Approximation / 111 \\ 2-7 The Fixed-Core Approximation / 114 \\ 3: Correlation in Many-Electron Systems / 117 \\ 3-1 Electron Correlation / 117 \\ 3-2 The $Z$-Dependent Perturbation Expansion / 118 \\ 3-3 The Structure of $|1>$ / 119 \\ 3-4 $Z$-Dependent Expansion of $\Phi^{\rm NHF}(\gamma L S)$ / 126 \\ 3-5 $Z$-Dependent Expansion of $\Phi^{\rm HF}(\gamma L S)$ / 128 \\ 3-6 An MCHF Approximation with $E^{\rm MCHF} = E_1$ / 130 \\ 3-7 The Separated-Pair Approximation / 136 \\ 3-8 The Reduced Form of a Pair-Correlation Function / 141 \\ 3-9 The Separated-Pair MCHF Procedure / 146 \\ 3-10 Some Practical Considerations / 146 \\ 3-11 Related Theories / 148 \\ 4: The MCHF Equations and Results / 150 \\ 4-1 The Energy Expression / 150 \\ 4-2 The MCHF Equations / 153 \\ 4-3 The Diagonal Energy Parameter / 159 \\ 4-4 MCHF Results for Two-Electron Systems / 163 \\ 4-4.1 The $1s^2$ $^1S$ state / 163 \\ 4-4.2 The $1s2s$ $^1S$ state / 168 \\ 4-4.3 The $1s2s$ $^3S$ state / 172 \\ 4-4.4 The $1s2p$ $^1P$ and $^3P$ states / 173 \\ 4-4.5 The $1s3d$ $^1D$ and $^3D$ states / 176 \\ 4-4.6 Accuracy of Atomic Properties for Two-Electron Systems / 176 \\ 4-5 A Separated-Pair Correlation Study of Li / 180 \\ 4-6 A Separated-Pair Correlation Study of Be / 186 \\ 4-7 Splitting of Orbitals / 190 \\ 5: Ab Initio Determination of Atomic Properties / 196 \\ 5-1 Introduction / 196 \\ 5-2 Ionization Potentials / 197 \\ 5-3 Electron Affinities / 199 \\ 5-4 Transition Probabilities / 202 \\ 5-5 Hyperfine Structure Constants / 208 \\ 5-6 Isomer Shift Calibration Constant / 213 \\ 5-7 General Remarks / 214 \\ References / 215 \\ Part B: Numerical Solution of Hartree--Fock Equations / 219 \\ 6: General Numerical Procedures / 221 \\ 6-1 Introduction / 221 \\ 6-2 The Logarithmic Variable / 223 \\ 6-3 Finite Differences and Interpolating Polynomials / 226 \\ 6-4 Numerical Integration and Differentiation / 228 \\ 6-5 The Functions $Y^k(i, i'; r)$ / 231 \\ 6-6 Solution of the Radial Equation $y'' = F(x) y + G(x)$ / 237 \\ 6-6.1 The Discretized Approximation / 240 \\ 6-6.2 Methods for Solving the Discretized Boundary Value Problem / 242 \\ 6-6.2.1 Direct Method of Solution / 242 \\ 6-6.2.2 The Shooting Method / 245 \\ 6-6.2.3 A Combined ``Shooting-Direct'' Method / 249 \\ 6-6.3 The Boundary Condition of Infinity / 251 \\ 6-6.4 Other Methods of Solution / 254 \\ 6-7 Solution of the Integrodifferential Equation / 258 \\ 6-8 The Generalized Eigenvalue Problem / 261 \\ 6-8.1 Eigenvalue Problems in Quantum Mechanics / 261 \\ 6-8.2 Methods of Solution / 263 \\ 6-8.2.1 Zero-Finding Methods / 263 \\ 6-8.2.2 Inverse Iteration / 268 \\ 6-9 Accuracy of Numerical Procedures for Hydrogen / 270 \\ 7: Numerical Solution of the MCHF Problem / 274 \\ 7-1 Introduction / 274 \\ 7-2 Initial Estimates / 276 \\ 7-3 Off-Diagonal Energy Parameters / 280 \\ 7-4 Improvement of the Radial Functions / 283 \\ 7-4.1 Method 1 (M1) / 284 \\ 7-4.2 Method 2 (M2) / 286 \\ 7-4.3 Search for an Acceptable Solution / 290 \\ 7-4.4 Comparison of M1 and M2 / 292 \\ 7-4.5 The Order of Improvement / 296 \\ 7-5 Orthogonalization / 296 \\ 7-6 Solution of the Secular Equation / 297 \\ 7-7 Test for Convergence / 297 \\ References / 302 \\ Appendix: Atomic Structure Programs / 299 \\ Index / 305", } @Article{Grant:1979:RAS, author = "I. P. Grant", title = "Relativistic atomic structure calculations", journal = j-COMP-PHYS-COMM, volume = "17", number = "1--2", pages = "149--161", month = apr # "\slash " # may, year = "1979", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/0010-4655(79)90077-8", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Mon Feb 13 06:01:25 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm1970.bib", URL = "http://www.sciencedirect.com/science/article/pii/0010465579900778", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Phillips:1979:WLB, author = "David Chilton Phillips", title = "{William Lawrence Bragg, 31 March 1890--1 July 1971}", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "25", pages = "74--143", month = nov, year = "1979", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.1979.0003", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Thu Aug 17 08:53:40 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://doi.org/10.1098/rsbm.1979.0003", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", remark = "From page 98: ``In 1925, D. R. Hartree, who was then at Cambridge but soon afterwards became a close colleague as Professor of Applied Mathematics in Manchester, calculated promising atomic scattering factors ($f$-curves) based on the Bohr-orbit model of the atom and, stimulated by the need for better $f$-curves in crystal-structure analysis, he went on to devise the method of the self-consistent field. Recognizing the importance of this work at any early stage, Bragg (33) laid down the criterion that has guided all subsequent structure analysts: `The structure which leads to the best agreement between observed and calculated values [of the X-ray intensities] is chosen as the closest approximation to the truth.'\,''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Ando:1982:EPT, author = "Tsuneya Ando and Alan B. Fowler and Frank Stern", title = "Electronic properties of two-dimensional systems", journal = j-REV-MOD-PHYS, volume = "54", number = "2", pages = "437--672", month = apr, year = "1982", CODEN = "RMPHAT", DOI = "https://doi.org/10.1103/revmodphys.54.437", ISSN = "0034-6861 (print), 1538-4527 (electronic), 1539-0756", ISSN-L = "0034-6861", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/rmp/abstract/10.1103/RevModPhys.54.437", abstract = "The electronic properties of inversion and accumulation layers at semiconductor--insulator interfaces and of other systems that exhibit two-dimensional or quasi-two-dimensional behavior, such as electrons in semiconductor heterojunctions and superlattices and on liquid helium, are reviewed. Energy levels, transport properties, and optical properties are considered in some detail, especially for electrons at the (100)silicon--silicon dioxide interface. Other systems are discussed more briefly", acknowledgement = ack-nhfb, fjournal = "Reviews of Modern Physics", journal-URL = "http://rmp.aps.org/browse", remark = "This 236-page review contains 92 mentions of Hartree.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Lindsay:1985:IARa, author = "Robert Bruce Lindsay", title = "Intellectual autobiography of {R. B. Lindsay}: {Part I}", howpublished = "Niels Bohr Library Archive manuscript", pages = "104", year = "1985", bibdate = "Mon Aug 14 10:10:06 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://repository.aip.org/islandora/object/nbla:283933", acknowledgement = ack-nhfb, remark-1 = "From pp. 64--65: ``Bohr was generous in giving conference time to me to try to explain the possibilities of the calculations he wanted me to do. As a result of all this reading and discussion, there began to dawn on me the notion of representing the screening effect of the inner electron groups on the outer ones in terms of continuous distributions of negative charge calculated by solving the time equation of the orbital motion, i.e., finding the average time spent by each electron in any spherical shell at a given distance from the nucleus. From this one was rather naturally led to endeavor to find such distributions of charge as would lead to quantized orbits which in turn were consistent with the charge distribution which produced them. Thus arose the concept of self-consistency, which so far as I was aware had not been suggested or used by any theoretical atomic investigator at that time. It is of course impossible to prove that Bohr did not himself suggest it to me directly or indirectly. \ldots{} My scheme, however, crude though it may have been, made no use of empirical data from spectroscopy or any other source. To me the matter is of some importance, since ultimately D. R. Hartree applied the scheme to the quantum mechanical evaluation of atomic fields under the title ``self-consistent field'' method. In one of his early papers on this subject Hartree gave me credit for making calculations based fundamentally on the idea adopted, and other writers since, notably J. C. Slater, have mentioned my contribution, but have implied that there was a lot of other work of similar description going on at that time. I believe, however, that the story as I have stated it is correct. The obvious question to raise here is why I did not myself follow up the self-consistent idea in quantum mechanics. I shall wait to discuss this in connection with the beginning of my professional academic career after I returned to the United States in 1923.''", remark-2 = "From pp. 86--87: ``I found the Heisenberg matrix calculus puzzling, as my background in algebra did not include much on this type of symbolism. I could appreciate Schr{\"o}dinger's work better since it involved the wave equation which I was probing in the acoustics class. What I did not at all see was how this new point of view could be applied to polyelectronic atoms, and here of course I missed my golden opportunity, for this was just waiting to fall into someone's lap. What happened was that D. R. Hartree in Manchester in England took it up and showed how the self-consistent field idea could be translated into quantum mechanical terms or more specifically into wave mechanical language. In 1928 he began to publish a series of elaborate papers which continued for many years. The question arises, why had I not seized this opportunity independently? \par The answer is a relatively simple one. I did not know enough about the manipulation of partial differential equations to see how the Schrodinger wave equation could be solved by numerical means for a potential energy function represented only by a table of numerical values. I realize that this is a poor excuse. The natural thing would have been to go to an applied mathematician to ask him how the problem should be tackled and in particular how one could proceed to match a numerical solution proceeding out from the origin with a similar solution proceeding in from infinity. The fact remains that there were few applied mathematicians in the modern sense in the United States at that time.''", remark-3 = "From pp. 87--88: ``Another obvious trouble was that it took me a long time really to understand how. the new Schrodinger point of view worked, since I had never had the eigenvalue problem pounded into me in any mathematics course. Hartree with his Cambridge mathematics training had this at his finger tips. Well, these are vain regrets, but they are regrets all the same and represent keen realization of my genuine shortcomings as a physicist. As matters turned out and as will be related in due course, I did later supervise the Ph.D. thesis work of several able graduate students on the evaluation of Hartree wave functions.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Lindsay:1985:IARb, author = "Robert Bruce Lindsay", title = "Intellectual autobiography of {R. B. Lindsay}: {Part II}", howpublished = "Niels Bohr Library Archive manuscript", pages = "117", year = "1985", bibdate = "Mon Aug 14 10:10:06 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://repository.aip.org/islandora/object/nbla:284038", acknowledgement = ack-nhfb, remark- = "From p. 129: ``I had followed with some care the program which D. R, Hartree had inaugurated for the calculation of atomic wave functions by the method of the self-consistent field. My own research concern over this on its earlier stages has already been mentioned earlier, I now corresponded with Hartree, who very generously gave me complete directions about carrying out the numerical integration of the Schrodinger equation for polyelectronic atoms, and suggested that I might guide some graduate students through such calculations, He wrote very voluminously about his own computations and gave many useful hints.''", remark-2 = "From p. 150: ``I decided to apply for a Guggenheim fellowship for 1936-37 and made careful plans for this, consulting Professor Hartree in Manchester with whom I wished to work on self-consistent field calculations. \ldots{} However, all this effort was doomed to disappointment, as my application was rejected.", remark-3 = "From page 151: about Lindsay's stay at Imperial College in London in the first half of January--August 1937: ``The original plan of going to work with Hartree in Manchester was revised and we decided to spend the second semester in London where I could work at the Imperial College of Science and Technology of the University of London.''", remark-4 = "From p. 156, ``In fact we had no social relations with any of the British professoriate save the Hartrees.''", remark-5 = "From p. 158: ``Professor Hartree kindly invited us to Manchester, and we spent a week there in May preparatory to our departure from England.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{Lindsay:1985:IARc, author = "Robert Bruce Lindsay", title = "Intellectual autobiography of {R. B. Lindsay}: {Part III}", howpublished = "Niels Bohr Library Archive manuscript", pages = "94", year = "1985", bibdate = "Mon Aug 14 10:10:06 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://repository.aip.org/islandora/object/nbla:284266", acknowledgement = ack-nhfb, remark = "There is no mention of Hartree in Part III, but this entry is included for completeness of this autobiography.", } @Article{Weiss:1985:RCM, author = "Eric A. Weiss and Henry S. Tropp and Ralph Erskine and John A. N. Lee and Gwen Bell and M. R. Williams", title = "Reviews: {The Computer Museum} and {J. Bernstein, Three Degrees Above Zero: Bell Labs in the Information Age} and {D. R. Hartree, Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics, and, Calculating Instruments and Machines} and {W. Kozaczuk, Enigma: How the German Machine Cipher Was Broken and How It Was Read by the Allies in World War Two} and {S. Levy, Hackers} and {A. Osborne and J. Dvorak, Hypergrowth: The Rise and Fall of Osborne Computer Corporation} and {E. W. Pugh, Memories that Shaped an Industry} and Capsule Reviews", journal = j-ANN-HIST-COMPUT, volume = "7", number = "3", pages = "258--277", month = jul # "\slash " # sep, year = "1985", CODEN = "AHCOE5", ISSN = "0164-1239", ISSN-L = "0164-1239", bibdate = "Fri Nov 1 15:29:22 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", URL = "http://dlib.computer.org/an/books/an1985/pdf/a3258.pdf; http://www.computer.org/annals/an1985/a3258abs.htm", acknowledgement = ack-nhfb, fjournal = "Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=5488650", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Wilkes:1985:MCP, author = "M. V. (Maurice Vincent) Wilkes", title = "Memoirs of a Computer Pioneer", publisher = pub-MIT, address = pub-MIT:adr, pages = "viii + 240", year = "1985", ISBN = "0-262-23122-0", ISBN-13 = "978-0-262-23122-0", LCCN = "QA76.17 .W55 1985", bibdate = "Mon Nov 4 07:46:57 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", series = "MIT Press series in the history of computing", URL = "https://en.wikipedia.org/wiki/Telecommunications_Research_Establishment", acknowledgement = ack-nhfb, author-dates = "Sir Maurice Vincent Wilkes (26 June 1913--29 November 2010)", keywords = "computers --- history; engineers --- Great Britain --- biography; Radar Research Establishment (1953--1957); Royal Radar Establishment (1957--date); Telecommunications Research Establishment (TRE) (1935--1953); Wilkes, M. V. (Maurice Vincent)", remark-1 = "There are 38 mentions of, and 17 index entries for, Douglas Hartree in this book.", remark-2 = "From page 150: ``Although Hartree's affiliation was to another department, he was very close to us at that time. His knowledge of numerical analysis and, more particularly, his wide experience of computing of the most practical kind, qualified him to play a major role at that critical moment. He had personal qualities of no less value. He was entirely without any sense of his own importance and could work, seemingly on equal terms, with those much younger than himself. He never attempted to lay down the law, and detested people who did. The only time I saw him really angry was once when he had just returned from a visit to the ACE project at the National Physical Laboratory where he had encountered such a person. It was, in no small measure, due to Hartree that computer applications in Cambridge got off to such a good start.''", remark-3 = "From p. 151: ``Hartree was a member of the committee and, on all questions relating to numerical methods and computational strategy, he was a tower of strength.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Series Foreword / vii \\ 1: Schooldays / 1 \\ 2: Undergraduate years / 9 \\ 3: Post-graduate research / 20 \\ 4: War / 31 \\ 5: Experience on radar sites / 40 \\ 6: Air Defence Experimental Establishment / 54 \\ 7: Operational research / 64 \\ 8: TRE / 81 \\ 9: A trip to Germany / 90 \\ 10: Post-war reconstruction / 103 \\ 11: Atmospheric oscillations / 111 \\ 12: The Moore School / 116 \\ 13: The EDSAC / 127 \\ 14: First steps in programming / 143 \\ 15: Germany revisited / 154 \\ 16: Computer progress in the United States / 160 \\ 17: EDSAC 2 / 184 \\ 18: Can machines think and other topics / 195 \\ 19: Computer progress 1955--80 / 208 \\ Sources and acknowledgements / 231 \\ Index / 233", } @Article{Ceruzzi:1986:RPC, author = "Paul Ceruzzi", title = "Review of {{\booktitle{Punched Card Methods in Scientific Computation; Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics and Calculating Instruments and Machines}}, by W. J. Eckert \& D. R. Hartree}", journal = j-ISIS, volume = "77", number = "1", pages = "154--156", month = mar, year = "1986", CODEN = "ISISA4", ISSN = "0021-1753 (print), 1545-6994 (electronic)", ISSN-L = "0021-1753", bibdate = "Fri Aug 4 17:46:50 2023", bibsource = "http://www.jstor.org/action/showPublication?journalCode=isis; http://www.jstor.org/stable/i211177; https://www.math.utah.edu/pub/tex/bib/isis1980.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/232544", acknowledgement = ack-nhfb, fjournal = "Isis", journal-URL = "http://www.jstor.org/journal/isis", reviewed-author = "Wallace J. Eckert and Douglas R. Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-04", } @Book{Hey:1986:QU, author = "Anthony J. G. Hey and Patrick Walters", title = "The Quantum Universe", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, pages = "vii + 180", year = "1986", ISBN = "0-521-26744-7 (hardcover), 0-521-31845-9 (paperback)", ISBN-13 = "978-0-521-26744-1 (hardcover), 978-0-521-31845-7 (paperback)", LCCN = "QC174.12 .H48 1987", bibdate = "Sat Aug 5 15:08:13 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/f/feynman-richard-p.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/p/pauli-wolfgang.bib; https://www.math.utah.edu/pub/bibnet/authors/s/schroedinger-erwin.bib", abstract = "The Quantum Universe is the first popular book to give a non-mathematical pictorial account of quantum physics, the foundation of our current understanding of nature. For so long the province of mathematicians and physicists alone, the beauty and significance of quantum mechanics has remained hidden to the nonspecialist. Yet its impact on technology has been enormous. The modern electronics industry with the silicon chip that has revolutionised so many aspects of modern life owes its existence to an understanding of the quantum nature of semiconductors. The text explains exactly what quantum mechanics is in a simple nonmathematical way, and is complemented throughout by many superb colour and black-and-white photographs illustrating the varied facets of quantum phenomena. The Quantum Universe will provide a fascinating and accessible introduction to one of the most important scientific disciplines of the twentieth century. Final-year students at school, general readers with an interest in science, and undergraduates in science subjects will all be able to enjoy and benefit from this novel exposition.", acknowledgement = ack-nhfb, remark = "Said to contain a description of Hartree's atomic structure work, and a picture of the Meccano differential analyser.", subject = "Quantum theory; Th{\'e}orie quantique; Quantum theory", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Preface \\ Prologue \\ Route map \\ Waves versus particles \\ Heisenberg and uncertainty \\ Schr{\"o}dinger and matter waves \\ Atoms and nuclei \\ Quantum tunnelling \\ Pauli and the elements \\ Death of a star \\ Quantum co-operation and superfluids \\ Feynman rules \\ Weak photons and strong glue \\ Appendices \\ Epilogue \\ Glossary \\ Suggestions for further reading \\ Photo-credits \\ Subject index \\ Names index", } @Article{Owens:1986:VBD, author = "Larry Owens", title = "{Vannevar Bush} and the Differential Analyzer: The Text and Context of an Early Computer", journal = j-TECH-CULTURE, volume = "27", number = "1", pages = "63--95", month = jan, year = "1986", CODEN = "TECUA3", DOI = "https://doi.org/10.2307/3104945", ISSN = "0040-165X (print), 1097-3729 (electronic)", ISSN-L = "0040-165X", bibdate = "Wed Aug 16 17:30:00 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/techculture1980.bib", URL = "https://www.jstor.org/stable/3104945", acknowledgement = ack-nhfb, ajournal = "Tech. Culture", fjournal = "Technology and Culture", journal-URL = "https://muse.jhu.edu/journal/194", } @Article{SwirlesJeffreys:1987:DRH, author = "{Lady} Bertha {Swirles Jeffreys}", title = "{Douglas Rayner Hartree} (1897--1958)", journal = j-COMMENTS-AT-MOL-PHYS, volume = "20", number = "??", pages = "189--198", month = "????", year = "1987", CODEN = "CAMPBS", ISSN = "0010-2687", ISSN-L = "0010-2687", bibdate = "Wed Aug 16 10:51:11 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ajournal = "Comments At. Mol. Phys.", author-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", fjournal = "Comments on Atomic and Molecular Physics", remark-1 = "Publication history: volume 1, number 1, April\slash May 1969 to final volume 34, number 3--6, February 1999. No online journal archive, and no electronic version of this article, have yet been found. Copy obtained via Interlibrary Loan from University of Texas at Arlington library.", remark-2 = "From page 190: ``Part of the dissertation dealt with the polarizability of the atomic core under the influence of the series electron. Hartree generously passed on this problem to me when I began research under Fowler in 1925. I published a short paper on this (Swirles, 1926) [Swirles:1926:PAC] and there was a similar study by Uns{\"o}ld (1926).''", remark-3 = "From page 193: ``I remember clearly that Hartree made the suggestion for extending the self-consistent field method to the Dirac equation on the platform at Euston Station in the autumn of 1934, when we were returning to Manchester from a conference on the nucleus in London. We did not know then that the coefficients I rather laboriously found had already been tabulated by Inglis (1931) [Inglis:1931:ERC]. This work was also done later more economically by I. P. Grant (1961) [Grant:1961:RSC].''", remark-4 = "From page 194: ``In 1947 I discovered some mistakes of sign in the formulation of the differential equations, and although he was in no way responsible, Hartree repaired the damage by adding an appendix to his paper in Reports on Progress in Physics (1947).'' [see Swirles:1935:RSC and Hartree:1947:CAS]", remark-5 = "From page 194: ``In the summer of 1936 he suggested that we should work together on superposition of configurations, and I remember that collaboration with much pleasure. Our first paper (1937) [Hartree:1937:ECI] was followed by the paper on oxygen which involved both Hartrees [Hartree:1939:SCF]. I did some of the algebra and Mr. Hartree did the numerical work.''", remark-6 = "From page 196: ``\ldots{} Darwin (1958) and Wilkes (1985), have written of Hartree's generosity and willingness to help colleagues and research students. He did enjoy passing on knowledge, but I realize now how much I took for granted his willingness to give me help and encouragement. He was in active work until his sudden death in 1958. He knew that he was diabetic and was on his way on foot to a routine check at a nearby nursing home when he collapsed and died.'' See also Wilkes' report in entry Hartree:1958:NTP.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Anonymous:1988:ERH, author = "Anonymous", title = "Errata: {Reviews: Hartree: Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics and Calculating Instruments and Machines, 10(1) 93}", journal = j-ANN-HIST-COMPUT, volume = "10", number = "3", pages = "234--234", month = jul # "\slash " # sep, year = "1988", CODEN = "AHCOE5", ISSN = "0164-1239", ISSN-L = "0164-1239", bibdate = "Fri Nov 1 15:29:13 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/t/turing-alan-mathison.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib; https://www.math.utah.edu/pub/tex/bib/cryptography.bib", note = "See \cite{Aspray:1988:RCD}.", URL = "http://dlib.computer.org/an/books/an1988/pdf/a3234.pdf; http://www.computer.org/annals/an1988/a3234abs.htm", acknowledgement = ack-nhfb, fjournal = "Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=5488650", } @Article{Aspray:1988:RCD, author = "William Aspray and Maurice V. Wilkes and Albert C. Lewis and Greg Mellen and Harold Chucker and Robert V. D. Campbell and Wendy Wilkins and G. J. Tee and Ernest Braun and Arthur L. Norberg", title = "Reviews: {Carpenter and Doran (eds.): A. M. Turing's ACE Report of 1946 and Other Papers}; {Masani (ed.): Norbert Wiener: Collected Works with Commentaries}; {Kozaczuk: Enigma: How the German Machine Cipher Was Broken and How It Was Read by the Allies in World War Two}; {Worthy: William C. Norris: Portrait of a Maverick}; {Harvard Computation Laboratory: A Manual of Operation for the Automatic Sequence Controlled Calculator}; {Proceedings of a Symposium on Large-Scale Digital Calculating Machinery}; {Gardner: The Mind's New Science: A History of the Cognitive Revolution}; {Hartree: Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics and Calculating Instruments and Machines}; {McLean and Rowland: The Inmos Saga}; {Pennings and Buifendam (eds.): New Technology as Organizational Innovation: The Development and Diffusion of Microelectronics}; Other Literature", journal = j-ANN-HIST-COMPUT, volume = "10", number = "1", pages = "80--97", month = jan # "\slash " # mar, year = "1988", CODEN = "AHCOE5", ISSN = "0164-1239", ISSN-L = "0164-1239", bibdate = "Fri Nov 1 15:29:12 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", note = "See minor erratum \cite{Anonymous:1988:ERH}: Hartree as a mathematical physicist, not a physical chemist.", URL = "http://dlib.computer.org/an/books/an1988/pdf/a1080.pdf; http://www.computer.org/annals/an1988/a1080abs.htm", acknowledgement = ack-nhfb, fjournal = "Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=5488650", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Medwick:1988:DHE, author = "Paul A. Medwick", title = "{Douglas Hartree} and Early Computations in Quantum Mechanics", journal = j-ANN-HIST-COMPUT, volume = "10", number = "2", pages = "105--111", month = apr # "\slash " # jun, year = "1988", CODEN = "AHCOE5", DOI = "https://doi.org/10.1109/MAHC.1988.10014", ISSN = "0164-1239", ISSN-L = "0164-1239", bibdate = "Fri Nov 1 15:29:12 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/g/golub-gene-h.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", URL = "http://dlib.computer.org/an/books/an1988/pdf/a2105.pdf; http://www.computer.org/annals/an1988/a2105abs.htm", abstract = "Douglas Hartree, who was a mathematical physicist at the University of Manchester and the University of Cambridge during the first half of this century, examined the possibilities for numerical solutions of the many-body problem in quantum mechanics which did not permit analytic, closed-form results. In an attempt to surmount the mathematical complexities associated with multi-electron atoms, Hartree proposed the method of self-consistent fields as an approximation scheme which would give numerical forms of atomic wave functions via iterative solution of the Schr{\"o}dinger equation. Hartree was quick to recognize the need for automatic computation, both analog and digital, for the practical implementation of the technique. To this end, he investigated the application of analog differential analyzers to the problem before realizing the superiority of digital computation. The question of the first self-consistent field calculations to be run on an electronic digital machine is addressed in an effort to clarify misinformation in the existing literature about the use of early computers to perform Hartree computations.", acknowledgement = ack-nhfb, fjournal = "Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=5488650", remark = "From page 109: ``The first verifiable use of an electronic digital computer for the implementation of the Hartree algorithm was on the Cambridge EDSAC which became operational in 1949 \ldots{} '' and ``Wilkes states that the bulk of credit for Hartree calculations on EDSAC should be given to S. F. [Samuel Francis] Boys since Hartree was only peripherally involved, at best, with the work at this point having moved on to address other problems of interest \ldots{} ''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Gene Howard Golub (February 29, 1932--November 16, 2007)", } @Article{Pyykko:1988:RES, author = "Pekka Pyykk{\"o}", title = "Relativistic effects in structural chemistry", journal = j-CHEM-REV, volume = "88", number = "3", pages = "563--594", month = may, year = "1988", CODEN = "CHREAY", DOI = "https://doi.org/10.1021/cr00085a006", ISSN = "0009-2665 (print), 1520-6890 (electronic)", ISSN-L = "0009-2665", bibdate = "Tue Aug 8 11:52:56 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://pubs.acs.org/doi/abs/10.1021/cr00085a006", acknowledgement = ack-nhfb, fjournal = "Chemical Reviews", journal-URL = "http://pubs.acs.org/loi/chreay", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @InCollection{Buneman:1990:PTS, author = "Oscar Buneman", title = "Particles in Their Self-Consistent Fields: From {Hartree}'s differential analyzer to {Cray} machines", crossref = "Nash:1990:HSC", pages = "57--62", year = "1990", DOI = "https://doi.org/10.1145/87252.88069", bibdate = "Mon Aug 07 10:46:43 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Oscar Buneman (28 September 1913--24 January 1993)", remark = "From page 59: ``There were three `CPUs': Phyllis Lockett, who is shown in the picture with Hartree; David Copley, a schoolmaster from Sheffield; and myself [Oscal Buneman]. We were about a billion times slower than modern CPUs, but Phyllis was the fastest. Hartree addressed the multitasking, or parallel, CPU problem by sharing out the several hundred orbits among the three of us, at least for the case in which the field was revised only occasionally. \ldots{} His algorithm is used to this day in particle simulations. The instructions for the three CPUs had been set out by Hartree in the form of a program, with go-tos and loops. We did not call it looping, though: Phyllis named it `knitting.'\,'' Phyllis Lockett later married and became Phyllis Nicolson; her work in 1947 led to the famous ``Crank--Nicolson'' method for numerically solving the heat equation, and related partial differential equations: see https://en.wikipedia.org/wiki/Crank%E2%80%93Nicolson_method.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Phyllis Nicolson (1 September 1917--6 October 1968)", } @Book{Croarken:1990:ESC, author = "Mary Croarken", title = "Early Scientific Computing in {Britain}", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "160 + 8", year = "1990", ISBN = "0-19-853748-4", ISBN-13 = "978-0-19-853748-9", LCCN = "Q183.9 .C76 1990", bibdate = "Mon Aug 7 12:23:51 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://books.google.com/books?id=OW1QAAAAMAAJ; http://catalog.hathitrust.org/api/volumes/oclc/20452712.html", acknowledgement = ack-nhfb, subject = "Science; Data processing; History; Great Britain; Electronic data processing; Sciences; Informatique; Histoire; Grande-Bretagne", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "1: Introduction \\ 2: Background: Aids to Computation \\ 3: The Mechanization of Computation at the Nautical Almanac Office \\ 4: The Nautical Almanac Office as a Computing Centre and the Founding of the Scientific Computing Service \\ 5: The Influence of Analogue Machines in the 1930s: The Manchester and Cambridge Differential Analysers \\ 6: The Second World War: The Emergence of Government Computing Centres \\ 7: The Creation of a National Computing Centre \\ 8: The National Physical Laboratory Mathematics Division: A National Computing Centre \\ 9: Post-War Computing Service Centres \\ 10: Computing Machine Developments at Cambridge and Manchester", } @Article{Smith:1990:MCA, author = "Meg Weston Smith", title = "{E. A. Milne} and the creation of air defence: some letters from an unprincipled brigand, 1916--1919", journal = j-NOTES-REC-R-SOC-LOND, volume = "44", number = "2", pages = "241--255", month = jul, year = "1990", CODEN = "NOREAY", DOI = "https://doi.org/10.1098/rsnr.1990.0020", ISSN = "0035-9149 (print), 1743-0178 (electronic)", ISSN-L = "0035-9149", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Notes and Records of the Royal Society of London", journal-URL = "http://rsnr.royalsocietypublishing.org/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Davidson:1991:GSC, author = "Ernest R. Davidson and Stanley A. Hagstrom and Subhas J. Chakravorty and Verena {Meiser Umar} and Charlotte {Froese Fischer}", title = "Ground-state correlation energies for two- to ten-electron atomic ions", journal = j-PHYS-REV-A, volume = "44", number = "11", pages = "7071--7083", month = dec, year = "1991", CODEN = "PLRAAN", DOI = "https://doi.org/10.1103/physreva.44.7071", ISSN = "1050-2947 (print), 1094-1622, 1538-4446, 1538-4519", ISSN-L = "1050-2947", bibdate = "Mon Aug 7 14:54:22 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pra/abstract/10.1103/PhysRevA.44.7071", abstract = "Improved estimates of the nonrelativistic stationary nucleus correlation energies of the ground-state atomic ions with three to ten electrons and $Z$ up to 20 are derived by combining experimental data and improved {\em ab initio\/} calculations. Unlike previous work in this area, we focus on the correlation contribution to individual ionization energies, computed by comparing experimental data with relativistic complete-valence-space Hartree--Fock energies.", acknowledgement = ack-nhfb, fjournal = "Physical Review A (Atomic, Molecular, and Optical Physics)", journal-URL = "http://pra.aps.org/browse", received = "21 Jun 1991", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Cossons:1992:MMW, author = "Neil Cossons and Andrew Nahum and Peter Turvey", title = "Making of the Modern World: Milestones of Science and Technology", publisher = "J. Murray in association with the Science Museum", address = "London, UK", pages = "224", year = "1992", ISBN = "0-7195-5121-8 (hardcover)", ISBN-13 = "978-0-7195-5121-5 (hardcover)", LCCN = "T15 .M23 1992", bibdate = "Sat Aug 5 15:00:10 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, remark = "Reported to contain a photo of Hartree's differential analyser.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", xxnote = "Find table of contents: none yet located, and not available in local library", } @Misc{Anonymous:1993:OBP, author = "Anonymous", title = "{Oscar Buneman}, pioneer of computer simulation of space, dies at 79", howpublished = "Stanford University News Service", day = "26", month = jan, year = "1993", bibdate = "Thu Sep 07 06:26:10 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/g/golub-gene-h.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://web.archive.org/web/20221128225301/http://news.stanford.edu/pr/93/930126Arc3435.html", acknowledgement = ack-nhfb, keywords = "Gene Golub; Oscar Buneman", remark = "From the article: ``At Manchester, under the guidance of renowned numerical analyst Douglas Hartree, Buneman began using his computing abilities to simulate the magnetron, a device for generating powerful radar waves. He aided the understanding of it through computation of its electron orbits and fields, and the device became very important to Britain's defense.\par `The magnetron made airborne radar possible, which made a big difference to the submarine war in the Atlantic and also in night bombing and bombing through clouds,' said Sidney Self, a professor emeritus of mechanical engineering who first met Buneman in England in the early 1950s.\par `It has often been said that while the atomic bomb ended the war, radar won it.'\par After coming to Stanford first as a visiting professor in 1957, he [Buneman] joined the Stanford faculty permanently in 1960. He directed some of his energy toward simulating space and fusion plasmas on the most advanced computers available while working on computational theory with Gene Golub, professor of computer science, and others.\par In the early 1970s, Buneman `showed how to solve Poisson's equation in a very elegant and stable manner, which had an enormous impact on the scientific computing community,' Golub said.''", subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Article{Bracewell:1993:OB, author = "Ronald N. Bracewell", title = "{Oscar Buneman}", journal = j-PHYS-TODAY, volume = "46", number = "12", pages = "65--65", month = dec, year = "1993", CODEN = "PHTOAD", DOI = "https://doi.org/10.1063/1.2809138", ISSN = "0031-9228 (print), 1945-0699 (electronic)", ISSN-L = "0031-9228", bibdate = "Wed Sep 6 08:31:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Physics Today", journal-URL = "http://www.physicstoday.org/", remark-1 = "From the article: ``At the outbreak of war in September 1939 he was interned for nine months in Canada with other foreign nationals. On returning to Manchester, Buneman completed a PhD supervised by Douglas Hartree in 1940 and then used a primitive analog computer developed at Manchester to discover the bunching of particles and the `Buneman potential' that exists in a cavity magnetron.''", remark-2 = "From the article: ``Ultimately he simplified the self-consistent field approach to the point where all of the particle behavior could be deduced directly from Newton's equations of motion and Maxwell's equations without Poisson's equation or magnetohydrodynamics.''", remark-3 = "From the article: ``As the trend to improved high-level languages advanced, Buneman stressed the continued need for meticulous attention to microprogramming. The power of his TRISTAN code [a three-dimensional electromagnetic particle simulation code for Cray supercomputers] is a testimony to the effectiveness of combining basic knowledge of electrodynamics with an intimate understanding of machine fundamentals.''", subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Article{Chakravorty:1993:GSC, author = "Subhas J. Chakravorty and Steven R. Gwaltney and Ernest R. Davidson and Farid A. Parpia and Charlotte {Froese Fischer}", title = "Ground-state correlation energies for atomic ions with 3 to 18 electrons", journal = j-PHYS-REV-A, volume = "47", number = "5", pages = "3649--3670", month = may, year = "1993", CODEN = "PLRAAN", DOI = "https://doi.org/10.1103/physreva.47.3649", ISSN = "1050-2947 (print), 1094-1622, 1538-4446, 1538-4519", ISSN-L = "1050-2947", bibdate = "Mon Aug 7 18:05:03 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://journals.aps.org/pra/abstract/10.1103/PhysRevA.47.3649", acknowledgement = ack-nhfb, fjournal = "Physical Review A (Atomic, Molecular, and Optical Physics)", journal-URL = "http://pra.aps.org/browse", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Unpublished{Holst:1994:DRH, author = "P. A. Holst", title = "{Douglas R. Hartree} and the Mechanical Differential Analysers", year = "1994", bibdate = "Mon Aug 07 10:35:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Cite in reference 13 \cite[p. 13]{Bowles:1996:UTE}.", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Owens:1994:CMS, author = "Larry Owens", title = "The Counterproductive Management of Science in the {Second World War}: {Vannevar Bush} and the {Office of Scientific Research and Development}", journal = "Business History Review", volume = "68", number = "4", pages = "515--576", month = "Winter", year = "1994", DOI = "https://doi.org/10.2307/3117197", ISSN = "0007-6805 (print), 2044-768X (electronic)", ISSN-L = "0007-6805", bibdate = "Wed Aug 16 11:45:40 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.jstor.org/stable/3117197", acknowledgement = ack-nhfb, journal-URL = "https://www.jstor.org/journal/busihistrevi", } @Article{Roos:1994:IIF, author = "Bj{\"o}rn Roos", title = "Introduction: {Inga Fischer-Hjalmars}", journal = j-THEOR-CHIM-ACTA, volume = "87", number = "4--5", pages = "243--245", month = jan, year = "1994", CODEN = "TCHAAM", DOI = "https://doi.org/10.1007/bf01113381", ISSN = "0040-5744", bibdate = "Mon Aug 14 09:42:43 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://link.springer.com/article/10.1007/BF01113381", acknowledgement = ack-nhfb, author-dates = "Bj{\"o}rn Olof Roos (28 June 1937--22 February 2010)", fjournal = "Theoretica Chimica Acta", journal-URL = "http://link.springer.com/journal/214", remark = "From page 244: ``An important event that took place during the fall of 1948 was a visit to professor C. A. Coulson in Oxford. The visit resulted in a paper discussing the form of the wavefunction for a dissociating hydrogen molecule (Phil. Mag. {\bf 40}:386 (1949)). This landmark paper, which is still used as a reference, pointed forward to the development of the unrestricted Hartree--Fock method and multi-configurational self-consistent field methods for the description of the dissociation of the chemical bond.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Inga Fischer-Hjalmars (16 January 1918--17 September 2008)", } @Article{Bowles:1996:UTE, author = "M. D. Bowles", title = "{U.S.} technological enthusiasm and {British} technological skepticism in the age of the analog brain", journal = j-IEEE-ANN-HIST-COMPUT, volume = "18", number = "4", pages = "5--15", month = oct # "\slash " # dec, year = "1996", CODEN = "IAHCEX", DOI = "https://doi.org/10.1109/85.539911", ISSN = "1058-6180 (print), 1934-1547 (electronic)", ISSN-L = "1058-6180", bibdate = "Thu Jul 12 08:14:44 MDT 2001", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/ieeeannhistcomput.bib", URL = "http://ieeexplore.ieee.org/iel4/85/11673/00539911.pdf", abstract = "This article is a comparative analysis of the British arid U.S. differential analyzers from 1930 to 1945. The author examines the development of the Vannevar Bush and D. R. Hartree analyzers in the context of the U.S. engineering community and British scientific community, respectively. He argues that this practical machine was more readily and enthusiastically adopted by US. engineers, while British scientists remained skeptical of the differential analyzer due to their theoretical professional style. As a result, Hartree was a ``voice in the wilderness'' in Britain, while Bush received extensive funding and had the support of an enthusiastic engineering environment.", acknowledgement = ack-nhfb, ajournal = "IEEE Ann. Hist. Comput.", fjournal = "IEEE Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=85", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Holst:1996:SRO, author = "P. A. Holst", title = "{Svein Rosseland} and the {Oslo} analyzer", journal = j-IEEE-ANN-HIST-COMPUT, volume = "18", number = "4", pages = "16--26", month = oct # "\slash " # dec, year = "1996", CODEN = "IAHCEX", DOI = "https://doi.org/10.1109/85.539912", ISSN = "1058-6180 (print), 1934-1547 (electronic)", ISSN-L = "1058-6180", bibdate = "Thu Jul 12 08:14:44 MDT 2001", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/ieeeannhistcomput.bib", URL = "http://ieeexplore.ieee.org/iel4/85/11673/00539912.pdf; https://en.wikipedia.org/wiki/Oslo_Analyzer", abstract = "At one time the world's largest mechanical differential analyzer was located at Blindern, Norway, at Oslo University's Institute of Theoretical Astrophysics. It was built by a Norwegian instrument firm, borrowing much of its details from the famous MIT design by Vannevar Bush. For a few years this mechanical analytical tool ranked as the world's foremost differential equation solver. The Oslo analyzer was technically advanced, highly accurate, and, surprisingly, it was the most accessible large computational resource available to theoretical physicists in the world. Its success was primarily due to Professor Svein Rosseland. He was a bright, young astrophysicist who had impressed his fellow physicists around the world with his talents and imaginative thoughts", acknowledgement = ack-nhfb, ajournal = "IEEE Ann. Hist. Comput.", fjournal = "IEEE Annals of the History of Computing", journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=85", remark-1 = "From page 19: ``Rosseland also realized that the Bush analyzer at that time was nothing but a research prototype that was gradually being perfected. In practical terms it was substantially undocumented and unfinished. Its design had evolved by iterating each important function through trials and refinement. \ldots{} There is good reason to believe Rosseland's was the first complete and thorough documentation of the design (see Fig. 3). His extensive notes and sketches would later come in handy for Bush when other analyzers were to be made. (The first copy was made for the Moore School of Electrical Engineering in Philadelphia, Pennsylvania. The second was built by the Metropolitan-Vickers Company for Douglas R. Hartree in Manchester, England. A third was built in Boston some years later and used by the U.S. Army's Aberdeen Proving Grounds. Rosseland's carefully prepared documentation was the basis for these replicates.)''", remark-2 = "From page 24: ``One of the Hartree's associates at Manchester University, Mr. R. Butler, an experienced analyzer specialist, made several visits to Oslo and contributed greatly to making the operation of the machine as effective as possible.''", } @Book{FroeseFischer:1997:CAS, author = "Charlotte {Froese Fischer} and Tomas Brage and Per J{\'o}nsson", title = "Computational Atomic Structure: an {MCHF} Approach", publisher = pub-IOP, address = pub-IOP:adr, pages = "xi + 279", year = "1997", DOI = "https://doi.org/10.1201/9781315139999", ISBN = "0-7503-0374-3 (hardcover), 0-7503-0466-9 (paperback)", ISBN-13 = "978-0-7503-0374-3 (hardcover), 978-0-7503-0466-5 (paperback)", LCCN = "QC173.4.A87", MRclass = "00A79, 81-08, 81V45", bibdate = "Tue Aug 8 06:57:34 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://catdir.loc.gov/catdir/enhancements/fy0701/97010464-d.html; http://www.gbv.de/dms/bowker/toc/9780750304665.pdf; http://www.zentralblattmath.org/zmath/en/search/?an=0997.00542", abstract = "Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree--Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett--Pauli corrections for relativistic effects) and details how the MCHF atomic structure software package can be used to this end. The book concludes with a treatment of atomic properties, such as energy levels, electron affinities, transition probabilities, specific mass shift, fine structure, hyperfine-structure, and autoionization. This modern, reliable exposition of atomic structure theory proves invaluable to anyone looking to make use of the authors' MCHF atomic structure software package, which is available publicly.", acknowledgement = ack-nhfb, subject = "Atomphysik; Numerische Mathematik.; Numerische Mathematik; Atomphysik.; Programmsammlung.; Numerisches Verfahren; Atombau", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "1: Introduction / 1--21 (21 pages) \\ 2: Configuration State Functions and Matrix Elements of the Hamiltonian / 22--34 (13 pages) \\ 3: Hartree--Fock Calculations / 35--66 (32 pages) \\ 4: Multiconfiguration Hartree--Fock Wave Functions / 67--87 (21 pages) \\ 5: Two-Electron Systems / 88--104 (17 pages) \\ 6: Correlation in Many-Electron Systems / 105--128 (24 pages) \\ 7: Relativistic Effects / 129--150 (22 pages) \\ 8: Isotope and Hyperfine Effects / 151--178 (28 pages) \\ 9: Allowed and Forbidden Transitions / 179--216 (38 pages) \\ 10: MCHF Continuum Wave Functions / 217--239 (23 pages) \\ A: Angular Momentum Theory / 240--250 (11 pages) \\ B: The Dirac and Breit--Pauli Theory / 251--259 (9 pages) \\ C: Fundamental Constants / 260--262 (3 pages) \\ D: Program Input Parameters / 263--272 (10 pages) \\ References / 273--276 (4 pages) \\ Index / 277--279 (3 pages)", } @Book{Williams:1997:HCT, author = "Michael R. Williams", title = "A History of Computing Technology", publisher = pub-IEEE, address = pub-IEEE:adr, edition = "Second", pages = "xi + 426", year = "1997", ISBN = "0-8186-7739-2 (hardcover)", ISBN-13 = "978-0-8186-7739-7 (hardcover)", LCCN = "QA76.17 .W55 1997", bibdate = "Sat Aug 5 15:21:04 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/b/babbage-charles.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/t/turing-alan-mathison.bib; https://www.math.utah.edu/pub/bibnet/authors/w/wilkinson-james-hardy.bib", URL = "http://catalogue.bnf.fr/ark:/12148/cb37514972q", acknowledgement = ack-nhfb, keywords = "ABC; Antikythera device; Baldwin--Odhner machines; Bell Relay Computers; Blaise Pascal; Cambridge machine (EDSAC); Charles Babbage; Clifford Berry; Colossus machine; Douglas Hartree; Eckert/Mauchly machines (BINAC and UNIVAC); Electronic Discrete Variable Arithmetic Computer (EDVAC); ENIAC; Ferranti Atlas; Gottfried Wilhelm Leibniz; Hartree Meccano model differential analyser; Harvard Mark I--IV; Howard Aiken; IBM Stretch; IBM/360; Institute for Advanced Study machine (IAS); John Atanasoff; Konrad Zuze; LARC; Manchester machine; Napier; NORC; NPL Pilot Ace; Percy Ludgate; Project Whirlwind; Rene Grillet; Samuel Morland; Scheutz Difference Engine; SEAC and SWAC machines; Selective Sequence Electronic Calculator (SSEC); Thomas Arithmometer; Vannevar Bush differential analyzer; Wilhelm Schickard", remark = "There are 11 mentions of Douglas Hartree in this book, with reference to his Meccano model differential analyzer, and his book on calculating machines \cite{Hartree:1984:CMRa,Hartree:1984:CMRb}.", shorttableofcontents = "1. In the Beginning \\ 2. Early Aids to Calculation \\ 3. Mechanical Calculating Machines \\ 4. The Babbage Machines \\ 5. The Analog Animals \\ 6. The Mechanical Monsters \\ 7. The Electronic Revolution \\ 8. The First Stored Program Electronic Computers \\ 9. Later Developments \\ Appendix \\ Index", subject = "Computers; History; Electronic data processing; Ordinateurs; Histoire; Informatique; Computers; Electronic data processing; Histoire; Num{\'e}eration; Histoire; Informatique; Ordinateur; ordinateur; origines; 20e s; origines.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "1: In the Beginning / 1 \\ 1.1 Numeration / 1 \\ 1.2 Written Number Systems / 6 \\ 1.2.1 The Additive Number System / 7 \\ 1.2.2 The Positional System / 8 \\ 1.3 The Egyptians / 9 \\ 1.4 The Greeks / 14 \\ 1.5 The European Number System / 19 \\ 1.6 The Far East / 27 \\ 1.7 Other Forms of Notation / 32 \\ 1.7.1. Knotted Cords for Record Keeping / 33 \\ 1.7.2 Tally Sticks / 38 \\ 1.7.3 Other Methods of Numerical Notation / 41 \\ Further Reading / 42 \\ Endnotes for Chapter 1 / 44 \\ \\ 2: Early Aids to Calculation / 46 \\ 2.1 Introduction / 46 \\ 2.2 Finger Reckoning / 47 \\ 2.3 The Abacus / 53 \\ 2.4 The Quadrant / 66 \\ 2.5 Two Legged Instruments / 74 \\ 2.5.1 The Proportional Compass / 75 \\ 2.5.2 The Sector / 76 \\ 2.6 Napier's Bones / 83 \\ 2.6.1 Napier and His Bones / 83 \\ 2.6.2 Gaspard Schott and Athanasius Kircher / 89 \\ 2.6.3 Early Versions of Napier's Bones / 93 \\ 2.6.4 Genaille--Lucas Rulers / 93 \\ 2.7 Logarithms / 96 \\ 2.8 The Slide Rule / 105 \\ Further Reading / 112 \\ Endnotes for Chapter 2 / 116 \\ \\ 3: Mechanical Calculating Machines / 118 \\ 3.1 Introduction / 118 \\ 3.2 Wilhelm Schickard (1592--1635) / 119 \\ 3.3 Blaise Pascal (1623--1662) / 124 \\ 3.4 Gottfried Wilhelm Leibniz (1646--1716) / 129 \\ 3.5 Samuel Morland (1625--1695) / 136 \\ 3.6 Rene Grillet / 142 \\ 3.7 Commercially Produced Machines / 145 \\ 3.7.1 The Thomas Arithmometer / 145 \\ 3.7.2 The Baldwin--Odhner Machines / 146 \\ 3.7.3 Key-Driven Machines / 149 \\ Further Reading / 152 \\ Endnotes for Chapter 3 / 153 \\ \\ 4: The Babbage Machines / 154 \\ 4.1 Charles Babbage (1791--1871) / 154 \\ 4.2 The Need for Accuracy / 160 \\ 4.3 The Method of Differences / 161 \\ 4.4 Babbage's Difference Engine / 163 \\ 4.5 The Scheutz Difference Engine / 170 \\ 4.6 Other Attempts At Difference Engines / 175 \\ 4.7 Babbage's Analytical Engine / 177 \\ 4.8 Percy Ludgate (1883--1922) / 186 \\ Further Reading / 188 \\ Endnotes for Chapter 4 / 190 \\ \\ 5: The Analog Animals / 191 \\ 5.1 Introduction / 191 \\ 5.2 The Astrolabe / 192 \\ 5.3 The Antikythera Device / 195 \\ 5.4 Tide Predictors / 198 \\ 5.5 Differential Analyzers / 201 \\ Further Reading / 207 \\ Endnotes for Chapter 5 / 208 \\ \\ 6: The Mechanical Monsters / 209 \\ 6.1 Introduction / 209 \\ 6.2 The Zuse Machines / 210 \\ 6.2.1 Konrad Zuse / 210 \\ 6.2.2 The Z1 / 211 \\ 6.2.3 The Z2 / 214 \\ 6.2.4 The Z3 / 215 \\ 6.2.5 The Z4 / 218 \\ 6.2.6 The Other Zuse Machines / 220 \\ 6.3 The Bell Relay Computers / 221 \\ 6.3.1 The Situation / 221 \\ 6.3.2 The Complex Number Calculator / 222 \\ 6.3.3 The Relay Interpolator / 225 \\ 6.3.4 The Models III and IV / 227 \\ 6.3.5 The Model V (The Twin Machine) / 229 \\ 6.3.6 The Model VI / 233 \\ 6.4 The Harvard Machines of Howard Aiken / 235 \\ 6.4.1 Introduction / 235 \\ 6.4.2 The Harvard Mark I / 235 \\ 6.4.3 The Harvard Mark II / 243 \\ 6.4.4 The Harvard Mark III and Mark IV / 246 \\ 6.5 The IBM Calculators / 248 \\ 6.5.1 The Punched Card Systems / 248 \\ 6.5.2 The Large IBM Calculators / 254 \\ 6.5.3 The Selective Sequence Electronic Calculator (SSEC) / 255 \\ Further Reading / 258 \\ \\ 7: The Electronic Revolution / 261 \\ 7.1 Introduction / 261 \\ 7.2 John Atanasoff, Clifford Berry, \& the ABC / 262 \\ 7.3 The ENIAC / 266 \\ 7.3.1 Introduction / 266 \\ 7.3.2 The Place and the Problem / 267 \\ 7.3.3 The People / 268 \\ 7.3.4 The Machine / 270 \\ 7.4 The Colossus Machines / 284 \\ 7.4.1 The Enigma / 284 \\ 7.4.2 Alan Turing (1912--1954) / 288 \\ 7.4.3 The Robinsons / 289 \\ 7.4.4 The Colossus / 291 \\ Further Reading / 294 \\ Endnotes for Chapter 7 / 295 \\ \\ 8: The First Stored Program Electronic Computers / 296 \\ 8.1 The Genesis of the Ideas / 296 \\ 8.2 Computer Memory Systems / 301 \\ 8.2.1 Introduction / 301 \\ 8.2.2 Thermal Memories / 303 \\ 8.2.3 Mechanical Memories / 304 \\ 8.2.4 Delay Line Systems / 306 \\ 8.2.5 Electrostatic Storage Mechanisms / 311 \\ 8.2.6 Rotating Magnetic Memories / 316 \\ 8.2.7 Static Magnetic Memories / 319 \\ 8.3 The British Scene / 321 \\ 8.3.1 Introduction / 321 \\ 8.3.2 The Manchester Machine / 322 \\ 8.3.3 The Cambridge Machine --- EDSAC / 329 \\ 8.3.4 The NPL Pilot Ace / 336 \\ 8.4 The American Scene / 336 \\ 8.4.1 The American Background / 344 \\ 8.4.2 The Electronic Discrete Variable Arithmetic Computer (EDVAC) / 347 \\ 8.4.3 The Institute for Advanced Study Machine (IAS) / 351 \\ 8.4.4 The Eckert/Mauchly Machines, BINAC and UNIVAC / 358 \\ 8.4.5 The SEAC and SWAC Machines / 365 \\ 8.4.6 Project Whirlwind / 370 \\ Further Reading / 376 \\ Endnotes for Chapter 8 / 379 \\ \\ 9: Later Developments / 381 \\ 9.1 Introduction / 381 \\ 9.2 The Early Machines of IBM / 383 \\ 9.2.1 The NORC / 383 \\ 9.2.2 The 700--7000 Series Machines / 385 \\ 9.3 Early Super Computers / 391 \\ 9.3.1 The Stretch / 391 \\ 9.3.2 The LARC / 395 \\ 9.3.3 The Ferranti Atlas / 397 \\ 9.4 The IBM/360 Series of Machines / 400 \\ Further Reading / 405 \\ Endnotes for Chapter 9 / 406 \\ Appendix / 407 \\ \\ Index / 416", } @Misc{Anonymous:1998:OB, author = "Anonymous", title = "{Oscar Buneman}", howpublished = "Web site", year = "1998", bibdate = "Wed Sep 06 08:45:22 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.physics.ucla.edu/icnsp/buneman.htm; https://academictree.org/physics/peopleinfo.php?pid=821941", acknowledgement = ack-nhfb, subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Book{Jeffreys:1999:MMP, author = "Harold Jeffreys and Bertha {Swirles Jeffreys}", title = "Methods of Mathematical Physics", publisher = pub-CAMBRIDGE, address = pub-CAMBRIDGE:adr, edition = "Third", pages = "viii + 718", year = "1999", ISBN = "0-521-66402-0 (paperback)", ISBN-13 = "978-0-521-66402-8 (paperback)", LCCN = "QA401 .J4 1999", bibdate = "Thu Aug 17 10:48:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib", note = "Reprint of \cite{Jeffreys:1956:MMP}.", URL = "https://en.wikipedia.org/wiki/Bertha_Swirles; https://en.wikipedia.org/wiki/Harold_Jeffreys", acknowledgement = ack-nhfb, author-dates = "Sir Harold Jeffreys (22 April 1891--18 March 1989); Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", remark = "First edition 1946, second edition 1950, third edition 1956, first paperback edition 1972, reprinted 1978, 1980, 1988, 1992, 1999, 2001. Third edition preface is dated April 1953. Second edition preface is dated 15 November 1948. First edition preface is dated 1946.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Preface \\ Authors' Notes \\ 1: The Real Variable \\ 2: Scalars and Vectors \\ 3: Tensors \\ 4: Matrices \\ 5: Multiple Integrals \\ 6: Potential Theory \\ 7: Operational Methods \\ 8: Physical Applications of the Operational Method \\ 9: Numerical Methods \\ 10: Calculus of Variations \\ 11: Functions of a Complex Variable \\ 12: Contour Integration and Bromwich's Integral \\ 13: Conformal Representation \\ 14: Fourier's Theorem \\ 15: The Factorial and Related Functions \\ 16: Solution of Linear Differential Equation \\ 17: Asymptotic Expansions \\ 18: The Equations of Potential, Waves, and Heat Conduction \\ 19: Waves in One Dimension and Waves With Spherical Symmetry \\ 20: Conduction of Heat in One and Three Dimensions \\ 21: Bessel Functions \\ 22: Applications of Bessel Functions \\ 23: The Confluent Hypergeometric Function \\ 24: Legendre Functions and Associated Functions \\ 25: Elliptic Functions \\ Notes \\ Appendix on Notation \\ Index", } @Article{Williams:1999:OBJ, author = "R. M. Williams", title = "Obituary: {Bertha Jeffreys}", journal = "The Independent (London)", volume = "??", number = "??", pages = "??--??", day = "22", month = dec, year = "1999", bibdate = "Thu Aug 17 10:25:53 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://en.wikipedia.org/wiki/Bertha_Swirles; https://en.wikipedia.org/wiki/Harold_Jeffreys; https://web.archive.org/web/20060902155227/http://www.physics.ucla.edu/~cwp/articles/jeffreys/jeffreys-obituary.html", acknowledgement = ack-nhfb, remark-1 = "From the text: ``In Cambridge, Bertha Swirles continued to publish important papers on quantum theory, but her most widely known publication is the enormously influential text \booktitle{Methods of Mathematical Physics}, written with [Sir] Harold Jeffreys, whom she had married in 1940. It was first published in 1946 and, after many editions and revisions, it was reprinted a few weeks ago, with a delightful picture of Bertha and Harold on the back cover.''", remark-2 = "From the text: ``Bertha Jeffreys played a leading role in women's education this century, and she inspired students of mathematics world-wide. It is a pity that only after her husband's death did she receive honorary doctorates, from the University of Saskatchewan in 1995 and the Open University in 1996. This recognition of her would have given him great pleasure.''", remark-3 = "Bertha Swirles, mathematician: born Northampton 22 May 1903; Tucker--Price Fellow, Girton College, Cambridge 1938-69 (Life Fellow 1969), Director of Studies in Mathematics 1949-69, Vice-Mistress 1966-69; married 1940 Harold Jeffreys (Kt 1953, died 1989); died Cambridge 18 December 1999.", subject-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", } @Article{FroeseFischer:2000:REC, author = "Charlotte {Froese Fischer}", title = "Reminiscences at the End of the Century", journal = j-MOL-PHYS, volume = "98", number = "16", pages = "1043--1050", month = aug, year = "2000", CODEN = "MOPHAM", DOI = "https://doi.org/10.1080/00268970050080393", ISSN = "0026-8976 (print), 1362-3028 (electronic)", ISSN-L = "0026-8976", bibdate = "Sat Aug 05 15:55:34 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.tandfonline.com/doi/abs/10.1080/00268970050080393", acknowledgement = ack-nhfb, fjournal = "Molecular Physics", journal-URL = "http://www.tandfonline.com/loi/tmph20", keywords = "Douglas R. Hartree; ENIAC", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Simoes:2000:QCG, author = "Ana Sim{\~o}es and Kostas Gavro{\u{g}}lu", title = "Quantum Chemistry in {Great Britain}: Developing a Mathematical Framework for Quantum Chemistry", journal = j-STUD-HIST-PHILOS-MOD-PHYS, volume = "31", number = "4", pages = "511--548", month = dec, year = "2000", CODEN = "????", DOI = "https://doi.org/10.1016/S1355-2198(00)00023-X", ISSN = "1355-2198 (print), 1879-2502 (electronic)", ISSN-L = "1355-2198", bibdate = "Thu Nov 3 06:18:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/shps-b.bib", URL = "http://www.sciencedirect.com/science/article/pii/S135521980000023X", acknowledgement = ack-nhfb, ajournal = "Stud. Hist. Philos. Mod. Phys.", fjournal = "Studies in History and Philosophy of Modern Physics", journal-URL = "http://www.sciencedirect.com/science/journal/13552198", remark = "There are 122 mentions of Hartree in this article, and 3 of Douglas Rayner Hartree.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Walmsley:2000:OLJ, author = "Mary Walmsley", title = "Obituary: {Lady Jeffreys} 1903--1999", journal = j-MATH-GAZ, volume = "84", number = "500", pages = "321--323", year = "2000", CODEN = "MAGAAS", ISSN = "00255572", bibdate = "Thu Aug 17 10:22:17 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://www.jstor.org/stable/3621681", acknowledgement = ack-nhfb, fjournal = "Mathematical Gazette", journal-URL = "http://www.jstor.org/journal/mathgaze", subject-dates = "Lady Bertha Swirles Jeffreys (22 May 1903--18 December 1999)", urldate = "2023-08-17", } @InCollection{Brezinski:2001:NAT, author = "Claude Brezinski and Luc Wuytack", title = "Numerical analysis in the twentieth century", crossref = "Brezinski:2001:NAH", pages = "1--40", year = "2001", DOI = "https://doi.org/10.1016/b978-0-444-50617-7.50003-3", bibdate = "Mon Aug 14 08:09:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.sciencedirect.com/science/article/pii/B9780444506177500033", acknowledgement = ack-nhfb, remark = "From the first paragraph: ``{\em Numerical analysis\/} can be defined as that branch of mathematics interested in {\em constructive methods}. \ldots{} It seems that the first book with this expression in its title was by Douglas Rayner Hartree (1897--1958), a mathematical physicist from Cambridge, England, in 1952. \ldots{} Of course, there were books on numerical methods a long time before Hartree's.''", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Small:2001:AAE, author = "James S. Small", title = "The Analogue Alternative: the Electronic Analogue Computer in {Britain} and the {USA}, 1930--1975", volume = "15", publisher = "Routledge", address = "London, UK and New York, NY, USA", pages = "xiv + 322", year = "2001", ISBN = "0-415-27119-3 (hardcover), 0-203-77021-8 (e-book), 0-415-86299-X, 1-134-69902-6 (e-book), 1-134-69909-3 (e-book), 1-134-69916-6 (e-book)", ISBN-13 = "978-0-415-27119-6 (hardcover), 978-0-203-77021-4 (e-book), 978-0-415-86299-8, 978-1-134-69902-5 (e-book), 978-1-134-69909-4 (e-book), 978-1-134-69916-2 (e-book)", LCCN = "QA76.17 .S55 2001", bibdate = "Sat Aug 5 15:14:28 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", series = "Studies in the history of science technology and medicine", URL = "http://sfx.ethz.ch/sfx_locater?sid=ALEPH:EBI01\%26genre=book%26isbn=9780203770214", acknowledgement = ack-nhfb, remark-1 = "There are 52 mentions of Douglas Hartree in this book, 11 of John von Neumann, 5 of Alan Turing, 4 of Charles Babbage, and 1 of Hartree-Fock.", remark-2 = "From p. 46: ``In the USA the differential analyzer was developed at an American engineering school where the solution of problems in electrical engineering provided the computational demand and principal spur for its construction. In Britain the leading proponents of differential analyzers were scientists working at universities in the fields of quantum mechanics, theoretical chemistry and mathematics. The first and most influential of these was Douglas R. Hartree.''", remark-3 = "Describes Hartree's differential analysers at Manchester, including on page 47 a picture of the Meccano model machine, completed in 1934, and reported to given an accuracy of 2 percent (lower than a full-scale machine that was accurate to 0.1 percent). The success of this model got funding for a bigger machine that was built for Manchester University by Metropolitan-Vickers Electrical Company Ltd., using drawings supplied by Vannevar Bush, and delivered in 1935. It had 4 integrators, and was smaller than the Bush's 6-integrator machine at MIT in Cambridge, MA, USA. Further success with the new machine in Manchester generated funding to expand it to 8 integrators. During World War II, Hartree's differential analyzer was taken over by the Ministry of Supply, and from pp. 48--49: ``was employed in a variety of problems including the study of anomalous radar pulses in the troposphere, calculations relating to the development of the radar cavity magnetron, the study of anti-aircraft gun controllers and the computation of the trajectories of projectiles used to provide the armed forces with ballistics tables.''", remark-4 = "From chapter 8, on the analogue versus digital debate, p. 256, crediting John D. Strong, who wrote in 1955: ``One important advantage of the analogue computer is its computing speed. As it performs all of its computing operations simultaneously (instead of sequentially as in the digital computer) the running time is independent of the size of the problem. On large problems the advantage is tremendous. One large analogue-computing laboratory, which has acquired a digital computer for checking purposes, reports a speed advantage on some of their problems of over 100 to 1.", subject = "Electronic analog computers; Great Britain; United States; Calculateurs analogiques {\'e}electroniques; Grande-Bretagne; {\'e}Etats-Unis; Electronic analog computers", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "List of Figures / ix \\ List of Tables / xi \\ Acknowledgements / xiii \\ 1: Introduction / 1 \\ 2: Analogue computing devices in the 19th and early 20th centuries / 29 \\ 3: The origins, form and function of electronic analogue devices and computers 1937--1950 / 63 \\ 4: Electronic analogue computer development, 1945--1955: Military programmes, aeronautics and electronics / 85 \\ 5: Commercialisation, hybridisation and competition: the electronic and hybrid computer industry in the USA, 1945--1975 / 118 \\ 6: The origins, commercialisation and decline of electronic analogue and hybrid computing in Britain, 1945--1975 / 179 \\ 7: Electronic analogue computers and engineering culture / 225 \\ 8: Negotiating a place for electronic analogue computers: the analogue versus digital debate / 245 \\ 9: Conclusion / 271 \\ Bibliography / 279 \\ List of Interviews / 308 \\ Index / 309", } @Book{FroeseFischer:2003:DRH, author = "Charlotte {Froese Fischer}", title = "{Douglas Rayner Hartree}: His Life in Science and Computing", publisher = pub-WORLD-SCI, address = pub-WORLD-SCI:adr, pages = "xviii + 250", year = "2003", DOI = "https://doi.org/10.1142/9789812795014", ISBN = "981-238-577-0", ISBN-13 = "978-981-238-577-2", LCCN = "Q143.H37", bibdate = "Tue Jun 14 17:17:19 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/master.bib", URL = "http://ebooks.worldscinet.com/ISBN/9789812795014/9789812795014.html", acknowledgement = ack-nhfb, libnote = "Not yet in my library.", subject = "Hartree, Douglas Rayner; Hartree, Douglas R. Quantenchemie; Geschichte; Quelle; Quantenphysik", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Front Matter i \\ The Hartree family 1 \\ Education, World War I, and marriage 9 \\ Early research at Cambridge University 23 \\ The new quantum mechanics 33 \\ Advances in atomic theory 47 \\ Radio waves in the atmosphere 65 \\ Professor at the University of Manchester 73 \\ The differential analyzer 85 \\ Control theory and industrial applications 103 \\ Laminar boundary layer theory 109 \\ Arrangements for war 115 \\ Wartime service 123 \\ Dawn of the computer era 145 \\ Returning to Cambridge 161 \\ Summers in North America 171 \\ Mathematical Laboratory, numerical analysis, and teaching 177 \\ A trip to Australia 181 \\ Atomic structure research using EDSAC 187 \\ The final years 195 \\ His legacy 201 \\ Back Matter 213", } @Article{Lindh:2003:BTT, author = "Roland Lindh and Per {\AA}ke Malmqvist", title = "{Bj{\"o}rn}'s top ten", journal = j-THEOR-CHEM-ACCOUNTS, volume = "110", number = "3", pages = "115--117", month = oct, year = "2003", CODEN = "TCACFW", DOI = "https://doi.org/10.1007/s00214-003-0506-7", ISSN = "1432-881X (print), 1432-2234 (electronic)", ISSN-L = "1432-2234", bibdate = "Mon Aug 14 12:10:46 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://link.springer.com/article/10.1007/s00214-003-0506-7", acknowledgement = ack-nhfb, fjournal = "Theoretical Chemistry Accounts", fjournal = "Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)", journal-URL = "http://link.springer.com/journal/214", remark = "From the introduction: ``On 1 July 2002 Bj{\=o}rn Olof Roos was promoted to professor emeritus. To celebrate this transition we wanted to honor his contributions to chemistry by dedicating a special issue of \booktitle{Theoretical Chemistry Accounts}.''", subject-dates = "Bj{\"o}rn Olof Roos (28 June 1937--22 February 2010)", } @Article{Croarken:2005:BRD, author = "Mary Croarken", title = "Book Review: {{\booktitle{Douglas Rayner Hartree: His Life in Science and Computing}} by Charlotte Froese Fischer}", journal = j-TECH-CULTURE, volume = "46", number = "4", pages = "859--860", month = oct, year = "2005", CODEN = "TECUA3", DOI = "https://doi.org/10.1353/tech.2006.0007", ISSN = "0040-165X (print), 1097-3729 (electronic)", ISSN-L = "0040-165X", bibdate = "Mon Aug 14 08:39:01 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/techculture2000.bib", URL = "http://www.jstor.org/stable/40060989", acknowledgement = ack-nhfb, ajournal = "Tech. Culture", fjournal = "Technology and Culture", journal-URL = "https://muse.jhu.edu/journal/194", reviewed-author = "Charlotte Froese Fischer", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", urldate = "2023-08-14", } @Book{Reiher:2005:RQC, author = "M. Reiher", title = "Relativistic Quantum Chemistry: the Fundamental Theory of Molecular Science", publisher = "Wiley-VCH", address = "Weinheim, Germany", pages = "xix + 669", year = "2005", DOI = "https://doi.org/10.1002/9783527627486", ISBN = "3-527-31292-7 (hardcover), 3-527-62749-9 (e-book)", ISBN-13 = "978-3-527-31292-4 (hardcover), 978-3-527-62749-3 (e-book)", LCCN = "QD462.6.R42 .R454 2009", bibdate = "Tue Aug 8 11:39:04 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, subject = "Quantum chemistry; Chimie quantique; 35.11 quantum chemistry, chemical bonds; Relativistic approach; Electrodynamics; Special relativity theory; Quantum physics; Dirac equation; Many-particle systems", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Front Matter / i--xix \\ 1: Introduction / 1--8 \\ Part I: Fundamentals \\ 2: Elements of Classical Mechanics and Electrodynamics / 9--50 \\ 3: Concepts of Special Relativity / 51--112 \\ 4: Basics of Quantum Mechanics / 113--150 \\ Part II: Dirac's Theory of the Electron \\ 5: Relativistic Theory of the Electron / 151--182 \\ 6: The Dirac Hydrogen Atom / 183--224 \\ Part III: Four-Component Many-Electron Theory \\ 7: Quantum Electrodynamics / 227--238 \\ 8: First-Quantized Dirac-Based Many-Electron Theory / 239--313 \\ 9: Many-Electron Atoms / 315--383 \\ 10: General Molecules and Molecular Aggregates / 385--412 \\ Part IV: Two-Component Hamiltonians \\ 11: Decoupling the Negative-Energy States / 413--446 \\ 12: Douglas--Kroll--Hess Theory / 447--478 \\ 13: Elimination Techniques / 479--501 \\ Part V: Chemistry with Relativistic Hamiltonians \\ 14: Special Computational Techniques / 503--515 \\ 15: External Electromagnetic Fields and Molecular Properties / 517--554 \\ 16: Relativistic Effects in Chemistry / 555--579 \\ Part: Appendices \\ A: Vector and Tensor Calculus / 580--587 \\ B: Kinetic Energy in Generalized Coordinates / 589--590 \\ C: Technical Proofs for Special Relativity / 591--595 \\ D: Relations for Pauli and Dirac Matrices / 597--600 \\ E: Fourier Transformations / 601--604 \\ F: Discretization and Quadrature Schemes / 605--610 \\ G: List of Abbreviations and Acronyms / 611--612 \\ H: List of Symbols / 613--614 \\ References / 615--656 \\ Index / 657--669", } @Article{Campbell-Kelly:2006:DJW, author = "Martin Campbell-Kelly", title = "{David John Wheeler. 9 February 1927--13 December 2004}", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "52", pages = "437--453", month = jan, year = "2006", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.2006.0030", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Misc{OConnor:2006:VAF, author = "J. J. O'Connor and E. F. Robertson", title = "{Vladimir Aleksandrovich Fock}", howpublished = "MacTutor Web site", month = nov, year = "2006", bibdate = "Sat Aug 12 09:55:49 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://mathshistory.st-andrews.ac.uk/Biographies/Fock/", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Dyall:2007:IRQ, author = "Kenneth G. Dyall and Knut Faegri", title = "Introduction to Relativistic Quantum Chemistry", publisher = pub-OXFORD, address = pub-OXFORD:adr, pages = "xiv + 530", year = "2007", ISBN = "0-19-803230-7", ISBN-13 = "978-0-19-514086-6, 978-0-19-803230-4", LCCN = "????", bibdate = "Tue Aug 8 10:08:39 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "PART I: Foundations \\ 1. Introduction \\ 2. Basic Special Relativity \\ 3. Relativistic Electromagnetic Interactions PART II: The Dirac Equation: Solutions and Properties \\ 4. The Dirac Equation \\ 5. Negative-Energy States and Quantum Electrodynamics \\ 6. Relativistic Symmetry \\ 7. One-Electron Atoms \\ 8. Properties of Relativistic Mean-Field Theory \\ PART III: Four-Component Methodology \\ 9. Operators, Matrix Elements and Wave Functions under Time Reversal Symmetry \\ 10. Matrices and Wave Functions under Double-Group Symmetry \\ 11. Basis Set Expansions of Relativistic Electronic Wave Functions \\ 12. Correlation Methods \\ 13. Molecular properties \\ 14. Density Functional Approaches to Relativistic Quantum Mechanics \\ PART IV: Approximations to the Dirac equation \\ 15. Spin Separation and the Modified Dirac Equation \\ 16. Unitary Transformations of the Dirac Hamiltonian \\ 17. Perturbation Methods \\ 18. Regular Approximations \\ 19. Matrix Approximations \\ 20. Core Approximations \\ 21. Spin-orbit Configuration Interaction Methods \\ PART V: The Nature of the Relativistic Chemical Bond \\ 22. Relativistic Effects on Molecular Bonding and Structure \\ Appendix A: Four-vector Quantities \\ Appendix B: Vector Relations \\ Appendix C: Elements of Group Theory \\ Appendix D: Group Tables \\ Appendix E: Change of Metric for Modified Wave Functions \\ Appendix F: Two-Electron Gauge Terms for the Modified Dirac Operator \\ Appendix G: The Second-Order Term of the Douglas--Kroll Expansion \\ Appendix H: Transformed Operators for Electric and Magnetic Properties \\ Appendix I: Gauge Term Contributions from the Breit Interaction to the Breit--Pauli Hamiltonian \\ Appendix J: Approximations in Relativistic Density Functional Theory \\ Appendix K: The Cowan--Griffin and Wood--Boring Equations \\ Appendix L: Supplementary Reading Bibliography", } @InCollection{Croarken:2008:HDR, author = "Mary Croarken", title = "{Hartree, Douglas Rayner}", crossref = "Hyrtl:2008:CDS", pages = "147--148", year = "2008", bibdate = "Tue Aug 08 10:05:15 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @InProceedings{Simon:2010:BHCa, author = "David H. Simon and Y. Y. Lau and Wilkin Tang and Keith Cartwright and Brad Hoff and R. M. Gilgenbach and John W. Luginsland", booktitle = "{2010 IEEE International Vacuum Electronics Conference (IVEC)}", title = "21.5: {Buneman--Hartree} condition revisited", publisher = pub-IEEE, address = pub-IEEE:adr, month = may, year = "2010", DOI = "https://doi.org/10.1109/ivelec.2010.5503483", bibdate = "Sat Aug 5 08:31:39 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Oscar Buneman (28 September 1913--24 January 1993)", } @InProceedings{Simon:2010:BHCb, author = "D. H. Simon and Y. Y. Lau and R. M. Gilgenbach and W. Tang and B. Hoff and K. L. Cartwright and John W. Luginsland", booktitle = "2010 Abstracts {IEEE} International Conference on Plasma Science", title = "{Buneman--Hartree} condition re-visited", publisher = pub-IEEE, address = pub-IEEE:adr, month = jun, year = "2010", bibdate = "Sat Aug 5 08:31:39 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://ieeexplore.ieee.org/document/5533892", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Oscar Buneman (28 September 1913--24 January 1993)", } @InCollection{Gavroglou:2011:DRH, author = "K{\=o}stas Gavroglou and Ana Sim{\~o}es", title = "{Douglas Rayner Hartree}: {``A} Computing and Classifying Physicist''", crossref = "Gavroglou:2011:NPN", chapter = "3 [subsection]", pages = "138--143", year = "2011", bibdate = "Mon Aug 07 16:20:45 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @InProceedings{Meyer-Spasche:2011:OBE, author = "Rita Meyer-Spasche", title = "{Oscar Buneman und die Entwicklung von Teilchen-Methoden}. ({German}) [{Oscar Buneman} and the development of particle methods]", crossref = "Gebelein:2011:FRG", pages = "86--99", year = "2011", bibdate = "Fri Sep 08 15:37:22 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, language = "German", remark = "Cited in \cite[p. 35]{Meyer-Spasche:2014:COB} with a comment about Buneman's citation classic paper that for 25 years was the most cited in the field of plasma simulation.", subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Article{Siegbahn:2011:BRM, author = "Per Siegbahn and Roland Lindh", title = "{Bj{\"o}rn O. Roos}: 1937--2010. {Mentor}, colleague, innovator", journal = j-IJQC, volume = "111", number = "13", pages = "3256--3259", day = "5", month = nov, year = "2011", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.23104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sat Oct 1 15:40:11 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/ijqc2010.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "25 Apr 2011", subject-dates = "Bj{\"o}rn Olof Roos (28 June 1937--22 February 2010)", } @Article{VanderKloot:2011:MSV, author = "William {Van der Kloot}", title = "Mirrors and smoke: {A. V. Hill}, his Brigands, and the science of anti-aircraft gunnery in {World War I}", journal = j-NOTES-REC-R-SOC-LOND, volume = "65", number = "4", pages = "393--410", month = jul, year = "2011", CODEN = "NOREAY", DOI = "https://doi.org/10.1098/rsnr.2010.0090", ISSN = "0035-9149 (print), 1743-0178 (electronic)", ISSN-L = "0035-9149", bibdate = "Thu Aug 3 09:54:59 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Notes and Records of the Royal Society of London", journal-URL = "http://rsnr.royalsocietypublishing.org/", keywords = "Douglas Rayner Hartree; William Hartree", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Book{Califano:2012:PMC, author = "Salvatore Califano", title = "Pathways to Modern Chemical Physics", publisher = pub-SV, address = pub-SV:adr, year = "2012", DOI = "https://doi.org/10.1007/978-3-642-28180-8", ISBN = "3-642-28179-6 (hardcover), 3-642-28180-X (e-book)", ISBN-13 = "978-3-642-28179-2 (hardcover), 978-3-642-28180-8 (e-book)", LCCN = "QD453.3 .C35 2012", bibdate = "Fri Aug 11 17:15:07 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "In this historical volume, Salvatore Califano traces the developments of ideas and theories in physical and theoretical chemistry throughout the 20th century. This seldom-told narrative provides details of topics from thermodynamics to atomic structure, radioactivity and quantum chemistry. Califano's expertise as a physical chemist allows him to judge the historical developments from the point of view of modern chemistry. This detailed and unique historical narrative is fascinating for chemists working in the fields of physical chemistry and is also a useful resource for science historians who will enjoy access to material not previously dealt with in a coherent way.", acknowledgement = ack-nhfb, subject = "Physical organic chemistry; Chemistry; Physical Chemistry; History and Philosophical Foundations of Physics; Theoretical and Computational Chemistry; Chimie organique physique; Chimie; Physical organic chemistry", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Front Matter / i--xii \\ Chemistry and Energy / 1--25 \\ Kinetics and Chemical Equilibrium / 27--57 \\ Matter and Electricity / 59--85 \\ Chemical Physics Structural Techniques / 87--108 \\ The Electron and Atomic Structure / 109--134 \\ Radioactivity / 135--166 \\ From Quantum Mechanics to Quantum Chemistry / 167--222 \\ The Mechanisms of Chemical Reactions / 223--269 \\ Erratum to: Copyright / E1--E1 \\ Back Matter / 271--283", } @Article{Johansson:2012:IFH, author = "Adam Johannes Johansson", title = "{Inga Fischer-Hjalmars} (1918--2008): {Swedish} Pharmacist, Humanist, and Pioneer Quantum Chemist", journal = j-J-CHEM-EDUC, volume = "89", number = "10", pages = "1274--1279", month = aug, year = "2012", CODEN = "JCEDA8", DOI = "https://doi.org/10.1021/ed300024g", ISSN = "0021-9584 (print), 1938-1328 (electronic)", ISSN-L = "0021-9584", bibdate = "Mon Aug 14 10:18:47 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://pubs.acs.org/doi/10.1021/ed300024g", acknowledgement = ack-nhfb, fjournal = "Journal of Chemical Education", journal-URL = "http://pubs.acs.org/journal/jceda8", remark = "From pp. 1275--1277: ``Although Inga Fischer was not on the patent of Xylocaine [Lidocaine in the USA], it has been said that she synthesized this particular compound for the very first time. \ldots{} After some time, L{\"o}fgren managed to secure 50g of 2,6-xylidine, which was enough to make a single batch of Xylocaine for further tests. Failure was not an option, so L{\"o}fgren wanted the synthesis to be performed by someone he trusted. Since Inga had a reputation of being very skillful and precautious in the laboratory, it fell on her fate to make the first synthesis of Xylocaine on a larger scale. Xylocaine is one of the most successful commercialized scientific advances ever made in Sweden, and to participate in such project as a young scientist gave Inga a good start in her career. \ldots{} The practical usefulness of Xylocaine made local anesthesia an attractive alternative to narcosis in many cases of light surgery and it also became very popular among dentists. For these two reasons, the world market for local anesthetics increased dramatically after the release of Xylocaine in 1948. \ldots{} During the conference [in 1948 in Paris, France], Inga Fischer was introduced to Charles Coulson, which resulted in Inga spending the winter of 1948--1949 doing research at King's College in London. \ldots{} The paper \cite{Coulson:1949:XNM} pointed out which way the development of more accurate methods had to take, which a few years later resulted in the development of the unrestricted Hartree--Fock (UHF) formalism. Furthermore, this was one of the earliest papers showing that the VB and MO methods are two different approximations of the more general method of configuration interaction (CI). It seems fair to say that the Coulson--Fischer paper is a milestone in the development of quantum chemistry.''", } @Book{Cossons:2013:MST, editor = "Neil Cossons and Peter Morris and James C. Hart and Lesley Henderson and Philip Sayer", title = "Milestones of Science and Technology: Making of the Modern World", publisher = "KWS", address = "Chicago, IL, USA", edition = "Second", pages = "270 + 113", year = "2013", ISBN = "0-9817736-5-6", ISBN-13 = "978-0-9817736-5-0", LCCN = "QA76 .M55 2013", bibdate = "Sat Aug 5 14:59:21 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "The Kodak camera, the CT scanner, the steam turbine, the telephone --- such inventions not only changed the course of history, but also changed our understanding of what the human race could achieve. An authoritative guide to the remarkable history of human innovation, this second edition, published in collaboration with London's Science Museum, brings readers up to date with insightful examinations of the new, present-day technologies society already takes for granted--from magnetic resonance imaging to the Internet. Organized chronologically, the book begins with a look at scientific achievement in the early Middle Ages and the navigational tools that mapped the New World before moving on to the steam-powered machines of the Industrial Revolution, the lifesaving medicines of World Wars I and II, and the dynamically designed consumer goods of the 1950s and 1960s. An essay about each invention, written by an expert from London's Science Museum, includes a short history of the invention's creation, use, and significance.", acknowledgement = ack-nhfb, remark = "Reported to contain a photo of Hartree's differential analyser.", subject = "Inventions; History; Technology; Technological innovations; Histoire; Technologie", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Zangwill:2013:HTF, author = "Andrew Zangwill", title = "{Hartree} and {Thomas}: the forefathers of density functional theory", journal = j-ARCH-HIST-EXACT-SCI, volume = "67", number = "3", pages = "331--348", month = may, year = "2013", CODEN = "AHESAN", DOI = "https://doi.org/10.1007/s00407-013-0114-4", ISSN = "0003-9519 (print), 1432-0657 (electronic)", ISSN-L = "0003-9519", bibdate = "Tue Jun 18 09:50:54 MDT 2013", bibsource = "http://springerlink.metapress.com/openurl.asp?genre=issue&issn=0003-9519&volume=67&issue=3; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/archhistexactsci.bib", URL = "http://link.springer.com/article/10.1007/s00407-013-0114-4", acknowledgement = ack-nhfb, fjournal = "Archive for History of Exact Sciences", journal-URL = "http://link.springer.com/journal/407", } @Article{Campbell-Kelly:2014:SMV, author = "Martin Campbell-Kelly", title = "{Sir Maurice Vincent Wilkes. 26 June 1913--29 November 2010}", journal = j-BIOGRAPH-MEMOIRS-FELLOWS-ROY-SOC, volume = "60", pages = "433--454", month = jan, year = "2014", CODEN = "BMFRA3", DOI = "https://doi.org/10.1098/rsbm.2013.0020", ISSN = "0080-4606 (print), 1748-8494 (electronic)", ISSN-L = "0080-4606", bibdate = "Thu Aug 17 09:01:37 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://doi.org/10.1098/rsbm.2013.0020", acknowledgement = ack-nhfb, fjournal = "Biographical Memoirs of Fellows of the Royal Society", journal-URL = "http://www.jstor.org/journals/00804606.html; https://royalsocietypublishing.org/journal/rsbm", remark-1 = "From p. 436: ``In his second year as a research student, Wilkes attended a lecture by Douglas Hartree FRS, Professor of Applied Mathematics at Manchester University, which changed the course of his life.''", remark-2 = "From p. 437: ``The Laboratory had a budget for a full-scale differential analyser, and a copy of the machine constructed for Manchester University was ordered from Metropolitan--Vickers. This necessitated Wilkes making a trip to Manchester, where he met Douglas Hartree in person for the first time. Hartree collected Wilkes from the railway station in his motor car, and put him up in his home. It was the beginning of a lasting friendship. When Hartree moved to the University of Cambridge after World War II, he became a kind of godfather to the Laboratory. However, no sooner was the differential analyser delivered than Britain was at war. The facilities of the Laboratory were taken over by the Ministry of Supply, and Wilkes was enlisted in the scientific war effort.''", remark-3 = "From page 441: ``Wilkes duly received an offer from Addison-Wesley, and the book appeared in 1951 under the title The preparation of programs for an electronic digital computer (18). The book was essentially the same as the September 1950 report, with the addition of a foreword by Hartree and Americanized spelling. Wilkes included as co-authors Wheeler and Gill (the latter had developed ground-breaking debugging techniques), and the book became known as Wilkes, Wheeler and Gill, or WWG for short. It was the first textbook on programming, and because it was published at a time when the first computers were just coming into operation it rushed in to fill the vacuum of knowledge about programming. The book influenced programming techniques almost everywhere (indeed, the subroutine library, organized in the manner invented by Wheeler, remains a fundamental principle of most programming systems up to the present day). WWG was perhaps the single most important outcome of the EDSAC.''", remark-4 = "From page 441: ``His first real application program was for the integration of Airy's differential equation a type that tended to arise in atmospheric physics. In writing this program he made one of the most profound discoveries in computing: that getting programs right was very difficult. His was a short program of 126 instructions, but it contained about 20 errors. It was only after at least a dozen attempts that he finally coaxed the correct results out of the machine. \ldots{} the realization came over me with full force that a good part of the remainder of my life was going to be spent in finding errors in my own programs.''", remark-5 = "From p. 449: ``While he was in the USA, and after he returned to the UK in 1986, Wilkes spent more and more time exploring the history of his subject. He had a remarkable instinct for doing history, and in another life that is the path his academic career might have taken. His special interest was Charles Babbage, of whom he first learned from Hartree in 1946. It says much of Wilkes's commitment that in May 1949 --- the month in which EDSAC began to work --- he found time to visit the Science Museum in London to study Babbage's scientific manuscripts. He was the first person of the computer era to go back to the primary sources. In 1971 he gave the principal address (33) at a memorial meeting marking the centenary of Babbage's death,''", } @Article{Meyer-Spasche:2014:COB, author = "Rita Meyer-Spasche", title = "Cosmopolitan {Oscar Buneman} (1913--1993): his serpentine path from {Milan} to {Stanford}", journal = j-ALMAGEST, volume = "5", number = "2", pages = "26--39", year = "2014", CODEN = "????", DOI = "https://doi.org/10.1484/J.ALMAGEST.5.103565", ISSN = "1792-2593", ISSN-L = "1792-2593", bibdate = "Thu Sep 7 18:15:00 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/almagest.bib", URL = "https://www.brepolsonline.net/doi/epdf/10.1484/J.ALMAGEST.5.103565", acknowledgement = ack-nhfb, ajournal = "Almagest", fjournal = "Almagest: International Journal for the History of Scientific Ideas", journal-URL = "https://www.brepolsonline.net/loi/almagest", remark-1 = "From page 33: ``Oscar Buneman probably would have liked to stay in the US. He applied for several jobs there. Documented are a letter to Professor John C. Slater at the Massachusetts Institute of Technology (July 1945) and an application to return to the Lawrence Berkeley Laboratory at the University of California (December 1945). Professor Slater and George Everson (in the name of Professor Lawrence) answered essentially in the same way: `We are planning work in which you would be very interested, we would love to have you here, but, as you are an alien, we do not have a suitable permanent position for you. We can only offer you to join our staff while you are waiting for a suitable opportunity in the academic field to present itself'.''", remark-2 = "From page 35: ``During the academic year 1957/58 he [Buneman] spent a sabbatical at Stanford University. During this stay, he had access to the biggest and fastest computer of the time and he did (one of) the first numerical simulations of plasma particles. This work resulted in a publication that became not only his most cited paper, but also a citation classic: in 1984, 25 years after its publication, it was the most cited paper in the field (Meyer-Spasche 2011) \cite{Meyer-Spasche:2011:OBE}.''", subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Book{Reiher:2015:RQC, author = "Markus Reiher and Alexander Wolf", title = "Relativistic Quantum Chemistry: the Fundamental Theory of Molecular Science", publisher = "Wiley-VCH Verlag GmbH and Co. KGaA", address = "Weinheim, Germany", edition = "Second", pages = "xxv + 737", year = "2015", DOI = "https://doi.org/10.1002/9783527667550", ISBN = "3-527-33415-7 (hardcover), 3-527-66755-5 (oBook), 3-527-66756-3 (Mobi), 3-527-66757-1 (ePDF), 3-527-66758-X (ePub)", ISBN-13 = "978-3-527-33415-5 (hardcover), 978-3-527-66755-0 (oBook), 978-3-527-66756-7 (Mobi), 978-3-527-66757-4 (ePDF), 978-3-527-66758-1 (ePub)", LCCN = "QD462.6.R42", bibdate = "Tue Aug 8 13:40:06 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "http://onlinelibrary.wiley.com/book/10.1002/9783527667550", acknowledgement = ack-nhfb, subject = "Quantum chemistry; Relativistic quantum theory; Chimie quantique; Th{\'y}eorie quantique relativiste; Quantum chemistry.; Relativistic quantum theory.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Front Matter / i--xxv \\ 1: Introduction / 1--8 \\ Part I: Fundamentals \\ 2: Elements of Classical Mechanics and Electrodynamics / 9--51 \\ 3: Concepts of Special Relativity / 53--115 \\ 4: Basics of Quantum Mechanics / 117--157 \\ Part II: Dirac's Theory of the Electron \\ 5: Relativistic Theory of the Electron / 159--191 \\ 6: The Dirac Hydrogen Atom / 193--234 \\ Part III: Four-Component Many-Electron Theory \\ 7: Quantum Electrodynamics / 235--248 \\ 8: First-Quantized Dirac-Based Many-Electron Theory / 249--331 \\ 9: Many-Electron Atoms / 333--402 \\ 10: General Molecules and Molecular Aggregates / 403--431 \\ Part IV: Two-Component Hamiltonians \\ 11: Decoupling the Negative-Energy States / 433--467 \\ 12: Douglas--Kroll--Hess Theory / 469--501 \\ 13: Elimination Techniques / 503--526 \\ Part V: Chemistry with Relativistic Hamiltonians \\ 14: Special Computational Techniques / 527--566 \\ 15: External Electromagnetic Fields and Molecular Properties / 567--604 \\ 16: Relativistic Effects in Chemistry / 605--630 \\ A: Vector and Tensor Calculus / 631--639 \\ B: Kinetic Energy in Generalized Coordinates / 641--642 \\ C: Technical Proofs for Special Relativity / 643--647 \\ D: Relations for Pauli and Dirac Matrices / 649--652 \\ E: Fourier Transformations / 653--656 \\ F: Gordon Decomposition / 657--660 \\ G: Discretization and Quadrature Schemes / 661--666 \\ H: List of Abbreviations and Acronyms / 667--668 \\ I: List of Symbols / 669--671 \\ J: Units and Dimensions / 673--674 \\ References / 675--724 \\ Index / 725--737", } @Article{Martinez:2016:HFM, author = "Jean-Philippe Martinez", title = "The {Hartree--Fock} method: from self-consistency to correct symmetry", journal = j-ANN-PHYS-1900, volume = "529", number = "1--2", pages = "1600328", month = dec, year = "2016", DOI = "https://doi.org/10.1002/andp.201600328", ISSN = "1521-3889", bibdate = "Fri Aug 11 17:11:26 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See also \cite{Martinez:2018:VFI} for a dissertation on Fock's scientific life.", abstract = "The Hartree--Fock method, one of the first applications of the new quantum mechanics in the frame of the many-body problem, is a good example of the attempts of many physicists to adapt their work on the old Bohr theory to new discoveries. It also shows the necessity to enlarge the theoretical foundations given by Schr{\"o}dinger and Heisenberg. The present work illustrates the challenges of the many-body problem in the new quantum mechanics by evaluating the contributions of both Hartree, who developed a self-consistent process to calculate the energy of an atom, and Fock, who set out the correct theoretical foundations of the method.", acknowledgement = ack-nhfb, fjournal = "Annalen der Physik (1900)", journal-URL = "http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1521-3889", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Meyer-Spasche:2016:PPO, author = "Rita Meyer-Spasche and Rolf Tomas Nossum", title = "Persecution and Patronage: {Oscar Buneman}'s years in {Britain}", journal = j-ALMAGEST, volume = "7", number = "2", pages = "4--21", year = "2016", DOI = "https://doi.org/10.1484/J.ALMAGEST.5.112684", ISSN = "1792-2593", ISSN-L = "1792-2593", bibdate = "Wed Sep 06 08:01:20 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/g/golub-gene-h.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/almagest.bib", URL = "https://pure.mpg.de/rest/items/item_2403602/component/file_2403630/content; https://www.brepolsonline.net/doi/10.1484/J.ALMAGEST.5.112684", abstract = "The German student Oscar B{\"u}nemann, in trouble with the Nazi authorities in the mid-1930s, chose to emigrate to Britain and pursue a PhD there. After emigration, his surname appears as Buneman. On the verge of completing his degree in 1940, he was detained as an enemy alien and spent almost a year in internment. Upon release, he found work as an atomic scientist in England, and went on to lead a post-war career as a pioneering plasma physicist in the USA.\par We study forced migration of European scientists before and during the Second World War, and scientific patronage in the host countries. Buneman's case is interesting from several points of view. Being a non-Jewish, non-communist, anti-Nazi activist, he belongs to a group not much investigated by historians. His emigration from Germany was facilitated by his family's business contacts in Britain. Being caught up in the wave of detainments of enemy aliens in 1940, he was assisted in pleading for release by the Society for the Protection of Science and Learning, the archives of which abound with information about refugee scientists from Nazi Germany. We have also had access to material not available to previous investigators, kindly provided by Buneman's family.", acknowledgement = ack-nhfb, ajournal = "Almagest", fjournal = "Almagest: International Journal for the History of Scientific Ideas", journal-URL = "https://www.brepolsonline.net/loi/almagest", remark-1 = "The URL points to a slightly revised version of the journal article.", remark-2 = "From page 8: ``B{\"u}nemann's main contact persons during the first years at Manchester University were Professor Mordell, Professor Blackett (Nobel Prize in Physics 1948) and Professor Hartree. He got his MSc degree in 1938 with a thesis on stability theory for ordinary dynamical systems (Bunemann 1938a). This research resulted in two publications (Bunemann 1938b, 1938c).''", remark-3 = "From page 8: ``Professor Hartree later wrote: `My knowledge of him dates from Oct. 1935, when he entered the University [\ldots{} ] I have known him not only in his work as an undergraduate and post-graduate student, but also in more informal ways, particularly in connection with musical activities both in the University and at home.'\,''", remark-4 = "From page 16: ``Mathematically speaking, they computed the paths of many charged particles (an electron beam) in a given electro-magnetic field of a cavity magnetron, taking into account that the moving charged particles generate fields themselves. The resulting field is called a self-consistent field. One of the equations to be solved again and again was the Poisson equation. By observing the particles timestep by timestep, he discovered the `threshold' criterion for magnetron operation, later on an important design tool. \ldots{} In a cyclotron, charged particles move in circles, the radii of which depend on isotopical mass; different isotopes describe different paths. The work at Berkeley entailed computing paths of charged particles (ions) in their self-consistent fields.''", remark-5 = "From page 18: ``In the 1960s he and his PhD student Roger Willis Hockney were strongly involved in the development of numerical methods closely related to the Fast Fourier Transform, together with Gene Golub (Hockney 1966a). Buneman became well-known among numerical analysts for his Fast Poisson Solver, the `Buneman algorithm' (Buneman 1969, Buzbee et al. 1970, 4, Henrici 1986, Stoer et al. 1983).", remark-6 = "From page 19: ``His name is tied to the `Buneman Instability', a property first introduced in his most frequently cited paper (Buneman 1959), and the `Buneman Algorithm' (Buneman 1969) which is still cited in numerical analysis papers and used in plasma codes (`Buneman trees' and the `Buneman-Levy algorithm' are named in honor of his son Oscar Peter.) The dedication of the first text book on computer simulation using particles (Hockney et al. 1981) reads: `To Oscar, Founder of the subject'.''", subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", } @Book{Roos:2016:MQC, author = "Bj{\"o}rn O. Roos and Roland Lindh and Per {\AA}ke Malmqvist and Valera Veryazov and Per-Olof Widmark", title = "Multiconfigurational Quantum Chemistry", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xiv + 224", year = "2016", DOI = "https://doi.org/10.1002/9781119126171", ISBN = "0-470-63346-8 (hardcover), 1-119-27787-6 (ePub e-book), 1-119-27787-6 (PDF e-book), 1-119-27788-4 (e-book) (e-book)", ISBN-13 = "978-0-470-63346-5(hardcover), 978-1-119-27787-3 (ePub e-book), 978-1-119-27787-3 (PDF e-book), 978-1-119-27788-0 (e-book)", LCCN = "QD462 .R66 2016", bibdate = "Tue Aug 8 09:30:40 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.", acknowledgement = ack-nhfb, author-dates = "Bj{\"o}rn Olof Roos (28 June 1937--22 February 2010)", remark = "From the Dedication on p. xiii: ``The work on this book was started in 2009 by Professor Bj{\"o}rn O. Roos. He was in charge of the planning and wrote significant parts before passing away on February 22, 2010.''", subject = "Quantum chemistry; Textbooks", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", tableofcontents = "Front matter / i--xiv \\ Introduction / 1--5 Mathematical background / 7--22 \\ Molecular orbital theory / 23--41 \\ Hartree-Fock theory / 43--58 \\ Relativistic effects / 59--67 \\ Basis sets / 69--84 \\ Second quantization and multiconfigurational wave functions / 85--91 \\ Electron correlation / 93--102 \\ Multiconfigurational SCF theory / 103--130 \\ The RAS State-Interaction method / 131--136 \\ The multireference CI method / 137--141 \\ Multi-configurational reference perturbation theory / 143--156 \\ CASPT2/CASSCF applications / 157--219 \\ Index / 221--223", } @Article{Luthi:2017:TJE, author = "Hans P. L{\"u}thi and Trygve Helgaker", title = "A tribute to {Jan Erik Alml{\"o}f}", journal = j-MOL-PHYS, volume = "115", number = "17--18", pages = "2033--2042", month = jun, year = "2017", CODEN = "MOPHAM", DOI = "https://doi.org/10.1080/00268976.2017.1293305", ISSN = "0026-8976 (print), 1362-3028 (electronic)", ISSN-L = "0026-8976", bibdate = "Sat Aug 12 10:17:18 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Molecular Physics", journal-URL = "http://www.tandfonline.com/loi/tmph20", remark = "This paper is a summary of Alml{\"o}f's research life, including his pushing Hartree--Fock calculations on large molecules to the limits of the accuracy of that method.", subject-dates = "Jan Erik Alml{\"o}f (1 April 1945--16 January 1996)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Martinez:2017:BCD, author = "Jean-Philippe Martinez", title = "Beyond computational difficulties: Survey of the two decades from the elaboration to the extensive application of the {Hartree--Fock} method", journal = j-STUD-HIST-PHILOS-MOD-PHYS, volume = "60", number = "??", pages = "123--135", month = nov, year = "2017", CODEN = "????", ISSN = "1355-2198 (print), 1879-2502 (electronic)", ISSN-L = "1355-2198", bibdate = "Fri Nov 24 09:07:07 MST 2017", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/shps-b.bib", URL = "http://www.sciencedirect.com/science/article/pii/S1355219816301113", acknowledgement = ack-nhfb, ajournal = "Stud. Hist. Philos. Mod. Phys.", fjournal = "Studies in History and Philosophy of Modern Physics", journal-URL = "http://www.sciencedirect.com/science/journal/13552198/", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @PhdThesis{Martinez:2018:VFI, author = "Jean-Philippe Martinez", title = "{Vladimir Fock} (1898--1974) : itin{\'e}raire externaliste d une pens{\'e}e internaliste. {Antir{\'e}ductionnisme} et r{\'e}alisme scientifique en physique moderne. ({French}) [{Vladimir Fock} (1898--1974): externalist itinerary of an internalist thought. {Antireductionism} and scientific realism in modern physics]", type = "Th{\`e}se de doctorat en {Histoire et Philosophie des Sciences}", school = "Universit{\'e} Sorbonne Paris Cit{\'e}", address = "Paris, France", pages = "581", day = "13", month = dec, year = "2018", bibdate = "Sat Aug 12 08:07:24 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://theses.hal.science/tel-01953871", abstract = "Vladimir Aleksandrovich Fock est un physicien largement reconnu par la communaut{\'e} scientifique pour ses contributions de premier plan aux th{\'e}ories de la m{\'e}canique quantique et de la relativit{\'e} g{\'e}n{\'e}rale. Il est aussi un acteur majeur du d{\'e}bat sur l'interpr{\'e}tation de ces deux th{\'e}ories du XXe si{\`e}cle, selon une approche qui se revendique clairement du mat{\'e}rialisme dialectique, une id{\'e}ologie alors largement impos{\'e}e par les autorit{\'e}s sovi{\'e}tiques en URSS. Notre {\'e}tude porte principalement sur cet aspect de sa carri{\`e}re, explor{\'e} jusqu'alors de fa{\c{c}}on trop partielle en histoire des sciences. Plus sp{\'e}cifiquement, nous nous penchons sur les racines scientifiques et philosophiques des interpr{\'e}tations non-orthodoxes des th{\'e}ories de la m{\'e}canique quantique et de la relativit{\'e} g{\'e}n{\'e}rale que d{\'e}veloppe Fock. En reconstruisant son approche {\'e}pist{\'e}mologique nous mettons en {\'e}vidence que le physicien est guid{\'e} par une vision antir{\'e}ductionniste et r{\'e}aliste scientifique de sa discipline. Cette base nous donne alors l'assise pour discuter des raisons pour lesquelles le mat{\'e}rialisme dialectique est une v{\'e}ritable influence pour la pens{\'e}e du physicien sovi{\'e}tique. Par la suite, partant du constat de la sinc{\`e}re adoption par Fock de cette id{\'e}ologie, nous repla{\c{c}}ons la question de l'interpr{\'e}tation des th{\'e}ories de la physique moderne dans son contexte socio-culturel. Il est y notamment question d'observer le parcours du physicien en tant que d{\'e}fenseur des th{\'e}ories de la m{\'e}canique quantique et de la relativit{\'e} face aux diff{\'e}rentes attaques politiques et id{\'e}ologiques qu'elles peuvent subir en Union sovi{\'e}tique, mais aussi d'{\'e}tudier l'influence du contexte sur la formulation {\`a} proprement parler de leurs interpr{\'e}tations et dans un dernier temps de d{\'e}velopper les questions relatives {\`a} la diffusion des id{\'e}es de Fock dans la communaut{\'e} locale et internationale des physiciens. En somme, cette th{\`e}se permet de reconsid{\'e}rer l'int{\'e}r{\^e}t que pr{\'e}sente la pens{\'e}e de Vladimir Aleksandrovich Fock dans l'histoire des th{\'e}ories de la physique moderne", abstract-en = "Vladimir Aleksandrovich Fock is a physicist well-known by the scientific community for his important contributions to the theories of quantum mechanics and general relativity. He is also a major actor in the debate on the interpretation of these two major theories of the XXth century, following an approach that clearly claims dialectical materialism --- an ideology then largely imposed by the Soviet authorities in the USSR --- as fundamental. Our work mostly focuses on this aspect of Fock's career, explored too partially in the history of science. More specifically, we reconsider the scientific and philosophical roots of the non-orthodox interpretations of quantum mechanics and general relativity developed by Fock. By reconstructing his epistemological approach we put forward that the physicist was guided by an antireductionist and a scientific realist conception of his discipline. This basis gives us the possibility to discuss the reasons why dialectical materialism was a real influence on the scientist thought. Thus, by following the observation of the sincere adoption by Fock of the Soviet ideology, we put back the question of the interpretation of the theories of modern physics in its socio-cultural context. We observe Fock's trajectory as a defender of quantum mechanics and relativity theory against the different ideological and political attacks they may undergo in Soviet Union. We also study the influence of context on the actual wording of their interpretations and finally we develop the issues related to their diffusion in the local and worldwide community of physicists. To summarize, this thesis helps to reconsider the interest of Fock's thought in the history of modern physics", acknowledgement = ack-nhfb, author-date = "Vladimir Aleksandrovich Fock (22 December 1898--27 December 1974)", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Shao:2018:ANC, author = "Meiyue Shao and H. Metin Aktulga and Chao Yang and Esmond G. Ng and Pieter Maris and James P. Vary", title = "Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver", journal = j-COMP-PHYS-COMM, volume = "222", number = "??", pages = "1--13", month = jan, year = "2018", CODEN = "CPHCBZ", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Sat Dec 2 17:13:54 MST 2017", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm2010.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0010465517302904", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", } @Article{Hibbert:2019:CFF, author = "Alan Hibbert", title = "{Charlotte Froese Fischer} --- Her Work and Her Impact", journal = j-ATOMS, volume = "7", number = "4", pages = "107--124", month = dec, year = "2019", CODEN = "ATOMC5", DOI = "https://doi.org/10.3390/atoms7040107", ISSN = "2218-2004", ISSN-L = "2218-2004", bibdate = "Mon Aug 7 07:18:53 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "Charlotte Froese Fischer has been at the forefront of research in atomic structure theory for over 60 years. She has developed many of the methods currently used by researchers and has written associated computer programs which have been published and hence made accessible to the research community. Throughout her career, she has consistently encouraged and mentored young scientists, enabling them to embark on independent careers of their own. This article provides an overview of the methods and codes she has developed, some large-scale calculations she has undertaken, and some insight into the impact she has had on young scientists, and the leadership she continues to show as she reaches her 90th birthday", acknowledgement = ack-nhfb, fjournal = "Atoms", journal-URL = "https://www.mdpi.com/journal/atoms", keywords = "B-splines; E1 transitions; forbidden transitions; GRASP; hyperfine structure; isotope shifts; MCDHF; MCHF; multiconfigurational methods; non-orthogonal orbitals", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Lehtola:2020:OSC, author = "Susi Lehtola and Frank Blockhuys and Christian {Van Alsenoy}", title = "An Overview of Self-Consistent Field Calculations Within Finite Basis Sets", journal = j-MOLECULES, volume = "25", number = "5", pages = "1218:1--1218:23", month = mar, year = "2020", CODEN = "MOLEFW", DOI = "https://doi.org/10.3390/molecules25051218", ISSN = "1420-3049", ISSN-L = "1420-3049", bibdate = "Wed Sep 6 17:27:03 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179435/", acknowledgement = ack-nhfb, fjournal = "Molecules", journal-URL = "https://www.mdpi.com/journal/molecules", keywords = "density functional theory; Hartree-Fock; self-consistent field theory", } @Article{Waide:2020:BPS, author = "D. T. Waide and D. G. Green and G. F. Gribakin", title = "\pkg{BSHF}: a program to solve the {Hartree--Fock} equations for arbitrary central potentials using a {B}-spline basis", journal = j-COMP-PHYS-COMM, volume = "250", number = "??", pages = "Article 107112", month = may, year = "2020", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/j.cpc.2019.107112", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Fri May 29 07:03:02 MDT 2020", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm2020.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0010465519304187", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", } @Article{Hernandez:2021:GAC, author = "Taylor M. Hernandez and Roel {Van Beeumen} and Mark A. Caprio and Chao Yang", title = "A greedy algorithm for computing eigenvalues of a symmetric matrix with localized eigenvectors", journal = j-NUM-LIN-ALG-APPL, volume = "28", number = "2", pages = "e2341:1--e2341:??", month = mar, year = "2021", CODEN = "NLAAEM", DOI = "https://doi.org/10.1002/nla.2341", ISSN = "1070-5325 (print), 1099-1506 (electronic)", ISSN-L = "1070-5325", bibdate = "Fri May 7 09:54:04 MDT 2021", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/numlinaa.bib", acknowledgement = ack-nhfb, ajournal = "Numer. Linear Algebra Appl.", fjournal = "Numerical Linear Algebra with Applications", journal-URL = "https://onlinelibrary.wiley.com/journal/10991506", onlinedate = "09 October 2020", } @Article{Maidment:2021:EML, author = "Alison Maidment", title = "The {Edinburgh Mathematical Laboratory} and {Edmund Taylor Whittaker}'s role in the early development of numerical analysis in {Britain}", journal = j-HIST-MATH, volume = "55", number = "??", pages = "39--63", month = may, year = "2021", CODEN = "HIMADS", DOI = "https://doi.org/10.1016/j.hm.2020.09.002", ISSN = "0315-0860 (print), 1090-249X (electronic)", ISSN-L = "0315-0860", bibdate = "Tue Mar 1 07:33:18 MST 2022", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/histmath.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0315086020300719", acknowledgement = ack-nhfb, fjournal = "Historia Mathematica", journal-URL = "http://www.sciencedirect.com/science/journal/03150860", remark = "Brief mention of Douglas Rayner Hartree as a pioneering numerical analyst and author of the earliest of the six best-known books on numerical analysis published in the 1950s.", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", } @Article{Miri:2021:FVB, author = "Johnny Miri", title = "The Fall of {Vannevar Bush}: The Forgotten War for Control of Science Policy in Postwar {America}", journal = j-HIST-STUD-NAT-SCI, volume = "51", number = "4", pages = "507--??", month = sep, year = "2021", CODEN = "????", DOI = "https://doi.org/10.1525/hsns.2021.51.4.507", ISSN = "1939-1811 (print), 1939-182X (electronic)", ISSN-L = "1939-182X", bibdate = "Mon Apr 18 07:48:19 MDT 2022", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/hsns.bib", URL = "https://online.ucpress.edu/hsns/article/51/4/507/118593/The-Fall-of-Vannevar-BushThe-Forgotten-War-for", acknowledgement = ack-nhfb, fjournal = "Historical Studies in the Natural Sciences", journal-URL = "http://hsns.ucpress.edu/content/by/year", } @Book{Anonymous:2022:PMI, author = "Anonymous", title = "Publications of {The Massachusetts Institute of Technology}: {October, 1924} (classic reprint)", publisher = "Forgotten Books", address = "????", year = "2022", ISBN = "0-364-17189-8", ISBN-13 = "978-0-364-17189-9", LCCN = "????", bibdate = "Mon Aug 14 08:54:41 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, remark = "This print-on-demand book may contain \cite{Lindsay:1924:U}, but no electronic copy could be accessed to verify that. It can be purchased from Abebooks and other online resellers.", } @Article{Benedek:2022:SCC, author = "Zsolt Benedek and Paula Tim{\'a}r and Tibor Szilv{\'a}si and Gergely Barcza", title = "Sensitivity of coupled cluster electronic properties on the reference determinant: Can {Kohn--Sham} orbitals be more beneficial than {Hartree--Fock} orbitals?", journal = j-J-COMPUT-CHEM, volume = "43", number = "32", pages = "2103--2120", day = "15", month = dec, year = "2022", CODEN = "JCCHDD", DOI = "https://doi.org/10.1002/jcc.26996", ISSN = "0192-8651 (print), 1096-987X (electronic)", ISSN-L = "0192-8651", bibdate = "Fri Aug 25 09:22:16 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputchem2020.bib", acknowledgement = ack-nhfb, ajournal = "J. Comput. Chem.", fjournal = "Journal of Computational Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651", onlinedate = "05 October 2022", }

%%% ==================================================================== %%% Part 3 (of 3): Publications on the large scale eigenproblem %%% %%% This problem occurs in the configuration interaction (CI) method %%% introduced by Douglas Hartree in 1937 (entry Hartree:1937:ECI), %%% where the matrices are sparse, and usually randomly so, but also %%% often diagonally dominant (i.e., the (i,i) diagonal element is %%% larger in magnitude than other elements in row or column i). %%% %%% When symmetry requirements produce blocking of the matrices, %%% algorithmic tuning can produce substantial speedups. %%% %%% In configuration interaction calculations, often only a few of the %%% lowest eigenvalues, and usually, corresponding eigenvectors, are %%% required. The Krylov, Lanczos, and Arnoldi algorithms appear to be %%% first methods for this problem, and several later refinements are %%% named after Davidson and Jacobi--Davidson. %%% %%% Feler's method can be used to find eigenvalues near an arbitrarily %%% chosen value, instead of just extremal eigenvalues. %%% %%% The need for eigensolutions of large matrices occurs in many other %%% areas of engineering and science than quantum-mechanical CI %%% calculations, so these methods are of broad interest. %%% %%% A distinguishing feature of these algorithms is that they do NOT %%% require the full matrix $A$ in the eigenproblem $A x = \lambda x$ to %%% be held in the computer's central memory. Instead, they only need %%% the ability to carry out a dot product of a row of the matrix with a %%% given column vector. That permits, for example, the matrix to be %%% fetched by rows from external storage. In some applications, I/O %%% activity can be minimized by reconstruction in memory of the matrix %%% row on each iteration. %%% %%% Entry Olsen:1990:POB reports what is believed to be the world's %%% largest CI expansion up to that time: $10^9$ terms. The computation %%% time in 1989 on an IBM 3090/VF mainframe with 64MB of central memory %%% at the Utah Supercomputing Institude [in the next building to that %%% of the office of the bibliographer] is reported to be about 1 CPU %%% day per iteration, but each such iteration took one wall-clock week %%% because of I/O between central memory and external storage. %%% Importantly, the authors did the calculations for several different %%% CI expansion lengths to confirm the convergence predicted by the %%% Rayleigh--Ritz variational principle. %%% %%% The recent entry Zbikowski:2023:BBL describes computations using CI %%% expansions with $2 \times 10^{10}$ terms.

@Article{Krylov:1931:NSE, author = "A. N. Krylov", title = "On the numerical solution of the equation by which, in technical matters, frequencies of small oscillations of material systems are determined", journal = "Izvestija Akademia Nauk SSSR. Otdel. mat. i estest. nauk", volume = "7", number = "4", pages = "491--539", month = "????", year = "1931", bibdate = "Sat Jun 11 12:23:04 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", URL = "http://alexei-krylov.co.tv/; http://ta.twi.tudelft.nl/users/viuk/burgers/krylov.html; http://www.encyclopedia.com/doc/1G2-2830902397.html", acknowledgement = ack-nhfb, keywords = "iteration solution of large eigenvalue problems", language = "Russian", remark = "This is the paper in which the Krylov subspace method for eigensolutions is introduced.", xxtitle = "On the numerical solution of equations whose solution determine the frequency of small vibrations of material systems", } @Article{Luzin:1931:MMK, author = "N. Luzin", title = "Sur la m{\'e}thode de {Mr. A. Krylov} de composition de l'{\'e}quation s{\'e}culaire. ({French}) [{On} the method of {Mr. A. Krylov} for the composition of the secular equation]", journal = "Bull. Acad. Sci. URSS", volume = "1931", number = "7", pages = "903--958", year = "1931", bibdate = "Fri Nov 10 16:19:00 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", ZMnumber = "0004.04902", acknowledgement = ack-nhfb, fjournal = "Bulletin de l'Acad{\'e}mie des Sciences de l'URSS. VII. S{\'e}rie", language = "Russian", ZBmath = "3004266", } @Article{Cooper:1948:SNF, author = "J. L. B. Cooper", title = "The Solution of Natural Frequency Equations by Relaxation Methods", journal = j-QUART-APPL-MATH, volume = "6", number = "??", pages = "179--183", month = "????", year = "1948", CODEN = "QAMAAY", ISSN = "0033-569x (print), 1552-4485 (electronic)", ISSN-L = "0033-569X", bibdate = "Sat Jun 11 12:48:32 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", URL = "http://www.ams.org/publications/journals/journalsframework/qam", acknowledgement = ack-nhfb, fjournal = "Quarterly of Applied Mathematics", journal-URL = "http://dl.acm.org/citation.cfm?id=J641; http://www.ams.org/journals/qam", keywords = "iteration solution of large eigenvalue problems", remark = "Back issues of this journal, but only to 2005, are available at links from the URL.", } @Article{Lanczos:1950:IMS, author = "Cornelius Lanczos", title = "An iteration method for the solution of the eigenvalue problem of linear differential and integral operators", journal = j-J-RES-NATL-BUR-STAND-1934, volume = "45", number = "4", pages = "255--282", month = oct, year = "1950", DOI = "https://doi.org/10.6028/jres.045.026", ISSN = "0160-1741 (print), 2376-5259 (electronic)", ISSN-L = "0160-1741", MRclass = "65.0X", MRnumber = "0042791 (13,163d)", MRreviewer = "P. Funk", bibdate = "Wed Jun 8 13:51:09 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", ZMnumber = "0067.33703", abstract = "The present investigation designs a systematic method for finding the latent roots and the principal axes of a matrix, without reducing the order of the matrix. It is characterized by a wide field of applicability and great accuracy, since the accumulation of rounding errors is avoided, through the process of ``minimized iterations''. Moreover, the method leads to a well convergent successive approximation procedure by which the solution of integral equations of the Fredholm type and the solution of the eigenvalue problem of linear differential and integral operators may be accomplished.", acknowledgement = ack-nhfb, ajournal = "J. Research Nat. Bur. Standards", fjournal = "Journal of Research of the National Bureau of Standards", journal-URL = "https://www.nist.gov/nist-research-library/journal-research-nist/past-papers", remark = "This paper contains the Lanczos algorithm for iterative computation of eigenvalues and eigenvectors, sometimes called the {\em power method}; this algorithm appears to be the most-widely cited of Lanczos's works.", } @Article{Arnoldi:1951:PMI, author = "W. E. Arnoldi", title = "The principle of minimized iteration in the solution of the matrix eigenvalue problem", journal = j-QUART-APPL-MATH, volume = "9", number = "??", pages = "17--29", month = "????", year = "1951", CODEN = "QAMAAY", ISSN = "0033-569x (print), 1552-4485 (electronic)", ISSN-L = "0033-569X", bibdate = "Sat Jun 11 12:21:35 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", URL = "http://www.ams.org/publications/journals/journalsframework/qam", acknowledgement = ack-nhfb, ajournal = "Quart. Appl. Math.", fjournal = "Quarterly of Applied Mathematics", journal-URL = "http://dl.acm.org/citation.cfm?id=J641; http://www.ams.org/journals/qam", keywords = "iteration solution of large eigenvalue problems", remark = "This is the paper in which the Arnoldi method for eigensolutions is introduced.", remark-2 = "Back issues of this journal, but only to 2005, are available at links from the URL.", } @Article{Nesbet:1965:ADL, author = "R. K. Nesbet", title = "Algorithm for Diagonalization of Large Matrices", journal = j-J-CHEM-PHYS, volume = "43", number = "1", pages = "311--312", month = "????", year = "1965", CODEN = "JCPSA6", DOI = "https://doi.org/10.1063/1.1696477", ISSN = "0021-9606 (print), 1089-7690 (electronic)", ISSN-L = "0021-9606", bibdate = "Fri Jun 10 21:51:24 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1970.bib", note = "See modification \cite{Shavitt:1970:MNA}.", acknowledgement = ack-nhfb, fjournal = "Journal of Chemical Physics", journal-URL = "http://scitation.aip.org/content/aip/journal/jcp/browse", keywords = "iteration solution of large eigenvalue problems", } @Article{Shavitt:1970:MNA, author = "Isaiah Shavitt", title = "Modification of {Nesbet}'s algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices", journal = j-J-COMPUT-PHYS, volume = "6", number = "1", pages = "124--130", month = aug, year = "1970", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(70)90010-0", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 09:15:01 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1970.bib", note = "See \cite{Nesbet:1965:ADL}.", URL = "http://www.sciencedirect.com/science/article/pii/0021999170900100", acknowledgement = ack-nhfb, author-dates = "Isaiah Shavitt (29 July 1929--8 December 2012)", fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", keywords = "iteration solution of large eigenvalue problems", } @Article{Shavitt:1973:ICS, author = "I. Shavitt and C. F. Bender and A. Pipano and R. P. Hosteny", title = "The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices", journal = j-J-COMPUT-PHYS, volume = "11", number = "1", pages = "90--108", month = jan, year = "1973", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(73)90149-6", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 09:15:08 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1970.bib", URL = "http://www.sciencedirect.com/science/article/pii/0021999173901496", acknowledgement = ack-nhfb, author-dates = "Isaiah Shavitt (29 July 1929--8 December 2012)", fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", keywords = "iteration solution of large eigenvalue problems", } @TechReport{Cullum:1974:BGS, author = "Jane Cullum and W. E. Donath", title = "A Block Generalization of the Symmetric {$S$}-Step {Lanczos} Algorithm", type = "Report", number = "RC 4845", institution = "IBM T. J. Watson Research Center", address = "Yorktown Heights, NY, USA", month = may, year = "1974", bibdate = "Fri Nov 10 06:51:19 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", acknowledgement = ack-nhfb, } @InProceedings{Cullum:1974:BLA, author = "Jane Cullum and W. E. Donath", editor = "{IEEE}", booktitle = "Proceedings of 1974 {IEEE} Conference on Decision and Control", title = "A Block {Lanczos} Algorithm for Computing the $q$ Algebraically Largest Eigenvalues and a Corresponding Eigenspace for Large, Sparse Symmetric Matrices", publisher = pub-IEEE, address = pub-IEEE:adr, pages = "505--509", year = "1974", bibdate = "Fri Nov 10 06:54:03 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", acknowledgement = ack-nhfb, } @Article{Davidson:1975:NIC, author = "Ernest R. Davidson", title = "Note: The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices", journal = j-J-COMPUT-PHYS, volume = "17", number = "1", pages = "87--94", month = jan, year = "1975", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(75)90065-0", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 09:15:16 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1970.bib", note = "This paper generalizes the work of Lanczos \cite{Lanczos:1950:IMS} by a modification that improves the convergence. See also later generalizations \cite{Morgan:1986:GDM,Rettrup:1982:IMC,Sadkane:1989:ANM}.", URL = "http://comptop.stanford.edu/u/references/da.pdf; http://www.sciencedirect.com/science/article/pii/0021999175900650", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", keywords = "iteration solution of large eigenvalue problems", remark = "This paper refers to \cite{Cooper:1948:SNF,Lanczos:1950:IMS,Nesbet:1965:ADL,Shavitt:1970:MNA,Shavitt:1973:ICS} for prior work on eigensolutions, but has no mention of the work of Arnoldi \cite{Arnoldi:1951:PMI} or Krylov \cite{Krylov:1931:NSE}.", } @InProceedings{Beebe:1978:BGE, author = "Nelson H. F. Beebe", booktitle = "Proceedings of the {NRCC Workshop on Numerical Algorithms in Chemistry: Algebraic Methods}", title = "Bibliography on the Generalized Eigenvalue Problem, {$ A x = \lambda B x $}", publisher = "National Resource for Computation in Chemistry", address = "Lawrence Berkeley Laboratory, Berkeley, CA, USA", pages = "71--72", day = "9--11", month = aug, year = "1978", bibdate = "Sun Sep 8 09:28:00 1996", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe-nelson-h-f.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ORCID-numbers = "Beebe, Nelson H. F./0000-0001-7281-4263", } @InProceedings{Beebe:1978:FMF, author = "Nelson H. F. Beebe", title = "{Feler}'s Method for Finding Eigenvalues and Eigenvectors", crossref = "Moler:1978:NAC", pages = "66--67", year = "1978", bibdate = "Sun Dec 08 11:55:56 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe-nelson-h-f.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ORCID-numbers = "Beebe, Nelson H. F./0000-0001-7281-4263", } @InProceedings{Beebe:1978:GEP, author = "Nelson H. F. Beebe", title = "The Generalized Eigenvalue Problem in Quantum Chemistry", crossref = "Moler:1978:NAC", pages = "63--65", year = "1978", bibdate = "Sun Dec 08 11:55:56 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe-nelson-h-f.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, ORCID-numbers = "Beebe, Nelson H. F./0000-0001-7281-4263", } @InProceedings{Davidson:1978:EME, author = "E. R. Davidson", title = "Expansion Methods for Eigenvectors of Large Matrices", crossref = "Moler:1978:NAC", pages = "15--25", year = "1978", bibdate = "Sun Dec 08 11:55:56 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, } @InCollection{Liu:1978:SEM, author = "Bowen Liu", title = "The simultaneous expansion method for the iterative solution of several of the lowest-lying eigenvalues and corresponding eigenvectors of large real-symmetric matrices", crossref = "Moler:1978:NAC", pages = "49--53", year = "1978", bibdate = "Tue Aug 15 13:16:47 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, } @InProceedings{Shavitt:1978:MEP, author = "Isaiah Shavitt", title = "Matrix Eigenvalue Problem", crossref = "Moler:1978:NAC", pages = "7--10", year = "1978", bibdate = "Sun Dec 08 11:55:56 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, author-dates = "Isaiah Shavitt (29 July 1929--8 December 2012)", } @Article{Cullum:1980:LPI, author = "Jane Cullum and Ralph A. Willoughby", title = "The {Lanczos} phenomenon---an interpretation based upon conjugate gradient optimization", journal = j-LINEAR-ALGEBRA-APPL, volume = "29", number = "??", pages = "63--90", month = feb, year = "1980", CODEN = "LAAPAW", DOI = "https://doi.org/10.1016/0024-3795(80)90231-1", ISSN = "0024-3795 (print), 1873-1856 (electronic)", ISSN-L = "0024-3795", MRclass = "65F15 (65F25)", MRnumber = "81d:65017", MRreviewer = "Norihiko Adachi", bibdate = "Wed Jan 22 17:57:24 MST 1997", bibsource = "/usr/local/src/bib/bibliography/Theory/Matrix.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", abstract = "The equivalence in exact arithmetic of the Lanczos tridiagonalization procedure and the conjugate gradient optimization procedure for solving $ A x = b $, where $A$ is a real symmetric, positive definite matrix, is well known. We demonstrate that a relaxed equivalence is valid in the presence of errors. Specifically we demonstrate that local var epsilon-orthonormality of the Lanczos vectors guarantees local $ \varepsilon $-$A$-conjugacy of the direction vectors in the associated conjugate gradient procedure. Moreover we demonstrate that all the conjugate gradient relationships are satisfied approximately. Therefore, any statements valid for the conjugate gradient optimization procedure, which we show converges under very weak conditions, apply directly to the Lanczos procedure. We then use this equivalence to obtain an explanation of the Lanczos phenomenon: the empirically observed ``convergence'' of Lanczos eigenvalue procedures despite total loss of the global orthogonality of the Lanczos vectors.", acknowledgement = ack-nhfb, fjournal = "Linear Algebra and its Applications", journal-URL = "http://www.sciencedirect.com/science/journal/00243795", keywords = "nla, eig, Lanczos algorithm, conjugate gradients", } @Article{Davidson:1980:CKT, author = "E. R. Davidson", title = "Comments on the {Kalamboukis} tests of the {Davidson} algorithm", journal = j-J-PHYS-A, volume = "13", number = "6", pages = "L179--L180", month = jun, year = "1980", CODEN = "JPHAC5", DOI = "https://doi.org/10.1088/0305-4470/13/6/002", ISSN = "0305-4470 (print), 1361-6447 (electronic)", ISSN-L = "0305-4470", bibdate = "Tue Aug 15 12:47:17 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See \cite{Kalamboukis:1980:DAP}.", URL = "https://iopscience.iop.org/article/10.1088/0305-4470/13/6/002", abstract = "Conceptual errors in Kalamboukis' recent paper (1980) are pointed out. A correct outline of the Davidson algorithm (1975) is given.", acknowledgement = ack-nhfb, fjournal = "Journal of Physics A (Mathematical and General)", journal-URL = "http://iopscience.iop.org/1751-8121", } @Article{Kalamboukis:1980:DAP, author = "T. Z. Kalamboukis", title = "{Davidson}'s algorithm with and without perturbation corrections", journal = j-J-PHYS-A, volume = "13", number = "1", pages = "57--62", month = jan, year = "1980", CODEN = "JPHAC5", DOI = "https://doi.org/10.1088/0305-4470/13/1/008", ISSN = "0305-4470 (print), 1361-6447 (electronic)", ISSN-L = "0305-4470", bibdate = "Tue Aug 15 12:42:58 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "See comments and corrections \cite{Davidson:1980:CKT}.", URL = "https://iopscience.iop.org/article/10.1088/0305-4470/13/1/008", abstract = "A comparison is made between Davidson's method for the real, symmetric matrix eigenproblem and a version of the Lanczos method obtained by removing the perturbation theory `corrections' from Davidson's algorithm. It is found that the convergence of Davidson's method is superior to that of Lanczos only if the matrix is quite strongly diagonally dominant. Applications to typical matrices from nuclear structure calculations, which are not very diagonally dominant, show no essential difference between the convergence rates. The Davidson-Lanczos method as used here is capable, unlike the usual versions of the Lanczos method, of direct application to the generalised eigenproblem $ A x = \lambda B x $. The author shows how this can be implemented and gives some examples that illustrate the convergence properties.", acknowledgement = ack-nhfb, fjournal = "Journal of Physics A (Mathematical and General)", journal-URL = "http://iopscience.iop.org/1751-8121", } @Article{Cullum:1981:CEV, author = "Jane Cullum and Ralph A. Willoughby", title = "Computing eigenvalues of very large symmetric matrices---An implementation of a {Lanczos} algorithm with no reorthogonalization", journal = j-J-COMPUT-PHYS, volume = "44", number = "2", pages = "329--358", month = dec, year = "1981", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(81)90056-5", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 15:59:09 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1980.bib", URL = "http://www.sciencedirect.com/science/article/pii/0021999181900565", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991", } @Article{Rettrup:1982:IMC, author = "Sten Rettrup", title = "An iterative method for calculating several of the extreme eigensolutions of large real non-symmetric matrices", journal = j-J-COMPUT-PHYS, volume = "45", number = "1", pages = "100--107", month = jan, year = "1982", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(82)90104-8", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Sun Jan 1 15:59:10 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1980.bib", note = "See \cite{Davidson:1975:NIC}.", URL = "http://www.sciencedirect.com/science/article/pii/0021999182901048", abstract = "A new method is described for calculating several of the extreme eigensolutions of large real non-symmetric matrices. The matrices considered are assumed to have real eigenvectors and eigenvalues. An algorithm is presented for both single and multiple vector optimization. The efficiency of the two versions are compared using some test calculations. The method is a generalization of the Davidson-approach.", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", keywords = "iteration solution of large eigenvalue problems", } @Article{Cullum:1983:LAC, author = "Jane Cullum and Ralph A. Willoughby and Mark Lake", title = "A {Lanczos} algorithm for computing singular values and vectors of large matrices", journal = j-SIAM-J-SCI-STAT-COMP, volume = "4", number = "2", pages = "197--215", month = jun, year = "1983", CODEN = "SIJCD4", ISSN = "0196-5204", MRclass = "65F15", MRnumber = "84h:65035", MRreviewer = "Robert Todd Gregory", bibdate = "Tue Apr 29 19:18:28 MDT 1997", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", acknowledgement = ack-nhfb, classification = "B0290H (Linear algebra); C4140 (Linear algebra)", corpsource = "IBM Thomas J. Watson Res. Center, Yorktown Heights, NY, USA", fjournal = "SIAM Journal on Scientific and Statistical Computing", journal-URL = "http://epubs.siam.org/loi/sijcd4", keywords = "eigenvalues and eigenfunctions; eigenvalues and eigenvectors; Lanczos algorithms; large matrices; matrix algebra; real matrix; sparse real matrices; symmetric matrices", treatment = "T Theoretical or Mathematical", } @InProceedings{Cullum:1984:LPM, author = "Jane Cullum and Ralph A. Willoughby", editor = "{IEEE}", booktitle = "{The 23rd IEEE Conference on Decision and Control, December 12--14, 1984, Las Vegas, Nevada}", title = "A {Lanczos} procedure for the modal analysis of very large nonsymmetric matrices", volume = "23", publisher = pub-IEEE, address = pub-IEEE:adr, pages = "1758--1761", month = dec, year = "1984", DOI = "https://doi.org/10.1109/CDC.1984.272436", ISBN = "????", ISBN-13 = "????", LCCN = "????", bibdate = "Sat Jun 11 00:31:57 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", note = "IEEE Catalog Number 79-640961.", acknowledgement = ack-nhfb, } @Book{Cullum:1985:LALa, author = "Jane K. Cullum and Ralph A. Willoughby", title = "{Lanczos} Algorithms for Large Symmetric Eigenvalue Computations, Volume 1. Theory", publisher = pub-BIRKHAUSER, address = pub-BIRKHAUSER:adr, pages = "xiv + 273", year = "1985", ISBN = "0-8176-3292-1 (Boston: set), 0-8176-3058-9 (Boston: vol. 1), 0-8176-3294-8 (Boston: vol. 2), 3-7643-3292-6 (Basel: set), 3-7643-3058-9 (Basel: vol. 1), 3-7643-3294-8 (Basel: vol. 2)", ISBN-13 = "978-0-8176-3292-2 (Boston: set), 978-0-8176-3058-4 (Boston: vol. 1), 978-0-8176-3294-6 (Boston: vol. 2), 978-3-7643-3292-1 (Basel: set), 978-3-7643-3058-3 (Basel: vol. 1), 978-3-7643-3294-5 (Basel: vol. 2)", LCCN = "QA193 .C84 1985", bibdate = "Mon Mar 6 15:34:09 GMT 1995", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/bibnet/authors/p/parlett-beresford-n.bib", URL = "https://www.math.utah.edu/pub/bibnet/subjects/acc-stab-num-alg.bib", acknowledgement = ack-nhfb, mynote = "Only skimmed. Tiny typeface. Emphasizes `local orthogonality is enough' approach, as opposed to Parlett \cite{Parlett:1980:SEP}'s `global orthogonality is crucial'. They summarize Paige's error analysis but don't (?) give any of their own.", remark = "Volume 1. Theory", subject = "Symmetric matrices; Data processing; Eigenvalues", } @Book{Cullum:1985:LALb, author = "J. Cullum and R. A. Willoughby", title = "{Lanczos} Algorithms for Large Symmetric Eigenvalue Computations, Volume 2: Programs", publisher = pub-BIRKHAUSER, address = pub-BIRKHAUSER:adr, year = "1985", bibdate = "Fri Jun 10 12:38:32 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", acknowledgement = ack-nhfb, } @Article{Cullum:1985:SLP, author = "Jane Cullum and Ralph A. Willoughby", title = "A survey of {Lanczos} procedures for very large real `symmetric' eigenvalue problems", journal = j-J-COMPUT-APPL-MATH, volume = "12--13", number = "??", pages = "37--60", month = may, year = "1985", CODEN = "JCAMDI", DOI = "https://doi.org/10.1016/0377-0427(85)90006-8", ISSN = "0377-0427 (print), 1879-1778 (electronic)", ISSN-L = "0377-0427", bibdate = "Fri Jun 10 16:10:44 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", acknowledgement = ack-nhfb, fjournal = "Journal of Computational and Applied Mathematics", journal-URL = "http://www.sciencedirect.com/science/journal/03770427", } @Article{Morgan:1986:GDM, author = "Ronald B. Morgan and David S. Scott", title = "Generalizations of {Davidson}'s method for computing eigenvalues of sparse symmetric matrices", journal = j-SIAM-J-SCI-STAT-COMP, volume = "7", number = "3", pages = "817--825", month = jul, year = "1986", CODEN = "SIJCD4", DOI = "https://doi.org/10.1137/0907054", ISSN = "0196-5204", ISSN-L = "0196-5204", MRclass = "65F15 (65F35 65F50)", MRnumber = "87g:65056", bibdate = "Mon Mar 31 09:59:42 MDT 2014", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/siamjscistatcomp.bib", acknowledgement = ack-nhfb, classification = "B0290H (Linear algebra); C4140 (Linear algebra)", corpsource = "Dept. of Math., Texas Univ., Austin, TX, USA", fjournal = "SIAM Journal on Scientific and Statistical Computing", journal-URL = "http://epubs.siam.org/loi/sijcd4", keywords = "eigenpairs; eigenvalues; eigenvalues and eigenfunctions; generalised Davidson's method; matrix algebra; preconditioning techniques; sparse symmetric matrices", onlinedate = "July 1986", treatment = "T Theoretical or Mathematical", } @Article{Cullum:1989:GNL, author = "J. Cullum and W. Kerner and R. Willoughby", title = "A Generalized Nonsymmetric {Lanczos} Procedure", journal = j-COMP-PHYS-COMM, volume = "53", number = "1--3", pages = "19--48", month = may, year = "1989", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/0010-4655(89)90146-X", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Fri Jun 10 11:59:40 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm1980.bib", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", kwds = "nla, geig, Lanczos algorithm, nonsymmetric matrix", } @Article{Davidson:1989:SMM, author = "Ernest R. Davidson", title = "Super-matrix methods", journal = j-COMP-PHYS-COMM, volume = "53", number = "1--3", pages = "49--60", month = may, year = "1989", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/0010-4655(89)90147-1", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Mon Feb 13 10:28:26 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm1980.bib", URL = "http://www.sciencedirect.com/science/article/pii/0010465589901471", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", } @PhdThesis{Sadkane:1989:ANM, author = "M. Sadkane", title = "Analyse num{\'e}rique de la m{\'e}thode de {Davidson}", type = "{Ph.D.} thesis", school = "UER math{\'e}matiques et Informatique, l'universit{\'e} de Rennes", address = "Rennes, France", year = "1989", bibdate = "Fri Jun 10 23:37:05 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", note = "See \cite{Davidson:1975:NIC}.", acknowledgement = ack-nhfb, } @Article{Umar:1989:MDA, author = "Verena Meiser Umar and Charlotte {Froese Fischer}", title = "Multitasking the {Davidson} Algorithm for the Large, Sparse Eigenvalue Problem", journal = j-IJSA, volume = "3", number = "4", pages = "28--53", month = dec, year = "1989", CODEN = "IJSAE9", DOI = "https://doi.org/10.1177/109434208900300404", ISSN = "0890-2720", ISSN-L = "0890-2720", bibdate = "Thu Aug 22 17:56:36 MDT 1996", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/ijsa.bib; UnCover library database", URL = "http://journals.sagepub.com/doi/pdf/10.1177/109434208900300404", acknowledgement = ack-nhfb, ajournal = "Int. J. Supercomput. Appl.", fjournal = "The International Journal of Supercomputer Applications", journal-URL = "http://hpc.sagepub.com/content/by/year", xxmonth = "Winter", } @Article{Morgan:1990:DMP, author = "Ronald B. Morgan", title = "{Davidson}'s method and preconditioning for generalized eigenvalue problems", journal = j-J-COMPUT-PHYS, volume = "89", number = "1", pages = "241--245", month = jul, year = "1990", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(90)90124-J", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Mon Jan 2 07:55:42 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1990.bib", URL = "http://www.sciencedirect.com/science/article/pii/002199919090124J", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Article{Olsen:1990:POB, author = "Jeppe Olsen and Poul J{\o}rgensen and Jack Simons", title = "Passing the one-billion limit in full configuration-interaction ({FCI}) calculations", journal = j-CHEM-PHYS-LETT, volume = "169", number = "6", pages = "463--472", month = jun, year = "1990", CODEN = "CHPLBC", DOI = "https://doi.org/10.1016/0009-2614(90)85633-n", ISSN = "0009-2614 (print), 1873-4448 (electronic)", ISSN-L = "0009-2614", bibdate = "Thu Aug 17 08:55:58 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.sciencedirect.com/science/article/abs/pii/000926149085633N", acknowledgement = ack-nhfb, fjournal = "Chemical Physics Letters", journal-URL = "http://www.sciencedirect.com/science/journal/00092614", remark = "From pp. 471--472: ``Prior to this work, the largest FCI benchmark calculations calculating and storing the complete vectors treated 8 electrons distributed among 23 orbitals, yielding 28-million determinants. We have been able to handle 10 electrons in 30 orbitals with more than 1016-million determinants, and have thus ushered in a new era in FCI benchmarks where `exact' energies can be obtained for more electrons and more realistic atomic-orbital bases. As a result, a more thorough and detailed understanding of the electron-correlation problem is at hand.''", } @Article{Morgan:1992:GDM, author = "Ronald B. Morgan", title = "Generalizations of {Davidson}'s method for computing eigenvalues of large nonsymmetric matrices", journal = j-J-COMPUT-PHYS, volume = "101", number = "2", pages = "287--291", month = aug, year = "1992", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(92)90006-K", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Mon Jan 2 07:54:43 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1990.bib", URL = "http://www.sciencedirect.com/science/article/pii/002199919290006K", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Article{Murray:1992:IAL, author = "Christopher W. Murray and Stephen C. Racine and Ernest R. Davidson", title = "Improved algorithms for the lowest few eigenvalues and associated eigenvectors of large matrices", journal = j-J-COMPUT-PHYS, volume = "103", number = "2", pages = "382--389", month = dec, year = "1992", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/0021-9991(92)90409-R", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Mon Jan 2 07:54:46 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1990.bib", URL = "http://www.sciencedirect.com/science/article/pii/002199919290409R", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Article{Davidson:1993:MMT, author = "Ernest R. Davidson", title = "Monster Matrices: Their Eigenvalues and Eigenvectors", journal = j-COMPUT-PHYS, volume = "7", number = "5", pages = "519--522", month = sep, year = "1993", CODEN = "CPHYE2", DOI = "https://doi.org/10.1063/1.4823212", ISSN = "0894-1866 (print), 1558-4208 (electronic)", ISSN-L = "0894-1866", bibdate = "Wed Apr 10 08:45:43 MDT 2019", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/computphys.bib", note = "See \cite{Lin:1993:EDM}.", URL = "https://aip.scitation.org/doi/10.1063/1.4823212", acknowledgement = ack-nhfb, ajournal = "Comput. Phys", fjournal = "Computers in Physics", journal-URL = "https://aip.scitation.org/journal/cip", keywords = "Davidson--Liu algorithm; Lanczos algorithm; matrix--vector products; sparse matrices", } @Article{Lin:1993:EDM, author = "H. Q. Lin and J. E. Gubernatis and Harvey Gould and Jan Tobochnik", title = "Exact Diagonalization Methods for Quantum Systems", journal = j-COMPUT-PHYS, volume = "7", number = "4", pages = "400--??", month = jul, year = "1993", CODEN = "CPHYE2", DOI = "https://doi.org/10.1063/1.4823192", ISSN = "0894-1866 (print), 1558-4208 (electronic)", ISSN-L = "0894-1866", bibdate = "Wed Apr 10 08:45:42 MDT 2019", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/computphys.bib", note = "See \cite{Davidson:1993:MMT}.", URL = "https://aip.scitation.org/doi/10.1063/1.4823192", acknowledgement = ack-nhfb, ajournal = "Comput. Phys", fjournal = "Computers in Physics", journal-URL = "https://aip.scitation.org/journal/cip", keywords = "Lanczos algorithm; matrix--vector products; sparse matrices", } @Article{Morgan:1993:PLA, author = "Ronald B. Morgan and David S. Scott", title = "Preconditioning the {Lanczos} algorithm for sparse symmetric eigenvalue problems", journal = j-SIAM-J-SCI-COMP, volume = "14", number = "3", pages = "585--593", month = may, year = "1993", CODEN = "SJOCE3", ISSN = "1064-8275 (print), 1095-7197 (electronic)", ISSN-L = "1064-8275", MRclass = "65F15", MRnumber = "93k:65032", bibdate = "Tue Apr 29 18:15:07 MDT 1997", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/siamjscicomput.bib", acknowledgement = ack-nhfb, fjournal = "SIAM Journal on Scientific Computing", journal-URL = "http://epubs.siam.org/sisc", } @InProceedings{Stathopoulos:1993:RSP, author = "Andreas Stathopoulos and Charlotte {Froese Fischer}", title = "Reducing Synchronization on the Parallel {Davidson} Method for the Large, Sparse, Eigenvalue Problem", crossref = "IEEE:1993:PSP", pages = "172--180", year = "1993", bibdate = "Wed Apr 15 12:04:03 MDT 1998", bibsource = "Compendex database; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/supercomputing93.bib", acknowledgement = ack-nhfb, affiliation = "Vanderbilt Univ", affiliationaddress = "Nashville, TN, USA", classification = "723; 921; C4140 (Linear algebra); C4240P (Parallel programming and algorithm theory); C7320 (Physics and chemistry computing)", corpsource = "Dept. of Comput. Sci., Vanderbilt Univ., Nashville, TN, USA", keywords = "atomic physics; chemistry computing; Computer aided analysis; Davidson algorithm; Davidson method; Davidson step; eigenvalue problem; eigenvalues and eigenfunctions; Eigenvalues and eigenfunctions; extreme eigenpairs; iterations; Lanczos method; Large sparse eigenvalue problem; large sparse symmetric matrix; multicomputers; parallel algorithms; parallel characteristics; parallel Davidson method; Parallel Davidson method; physics computing; quantum chemistry; Rayleigh--Ritz method; reliability; stability; synchronisation; synchronisation reduction", sponsororg = "IEEE; ACM SIGARCH", treatment = "P Practical", } @Article{Buneman:1994:TOB, author = "Ruth Buneman and Robert J. Barker and Anthony L. Peratt and Stephen H. Brecht and A. Bruce Langdon and H. Ralph Lewis", title = "A tribute to {Oscar Buneman} --- pioneer of plasma simulation", journal = j-IEEE-TRANS-PLASMA-SCI, volume = "22", number = "1", pages = "22--30", month = feb, year = "1994", CODEN = "ITPSBD", DOI = "https://doi.org/10.1109/27.281546", ISSN = "0093-3813 (print), 1939-9375 (electronic)", ISSN-L = "0093-3813", bibdate = "Fri Sep 8 15:51:38 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", abstract = "Highlights are presented from among the many contributions made by Oscar Buneman to the science, engineering, and mathematics communities. Emphasis is placed not only on ``what'' this pioneer of computational plasma physics contributed but, of equal importance, on ``how'' he made his contributions. Therein lies the difference between technical competence and scientific greatness. The picture which emerges illustrates the open-mindedness, enthusiasm, intellectual\slash physical stamina, imagination, intellectual integrity, interdisciplinary curiosity, and deep humanity that made this individual unique. As a gentleman and a scholar, he had mastered the art of making cold technical facts ``come to life.'' Oscar Buneman died peacefully at his home near Stanford University on Sunday, January 24th, 1993. The profound influence he has had on so many of his colleagues guarantees his immortality.", acknowledgement = ack-nhfb, ajournal = "IEEE Trans. Plasma Sci.", fjournal = "IEEE Transactions on Plasma Science", journal-URL = "https://ieeexplore.ieee.org/xpl/issues?punumber=27", subject-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Oscar Buneman (28 September 1913--24 January 1993)", } @InProceedings{Cullum:1994:BLAa, author = "Jane K. Cullum", title = "Block {Lanczos} Algorithms for Large Matrix Eigenvalue Problems: {Part I}. Real Symmetric Case", crossref = "Brown:1994:PCL", pages = "313--315", year = "1994", bibdate = "Sat Jun 11 17:22:09 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; MathSciNet database", acknowledgement = ack-nhfb, } @InProceedings{Cullum:1994:BLAb, author = "Jane K. Cullum", title = "Block {Lanczos} Algorithms for Large Matrix Eigenvalue Problems: {Part II}. Nonsymmetric Case", crossref = "Brown:1994:PCL", pages = "316--318", year = "1994", bibdate = "Sat Jun 11 17:22:09 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; MathSciNet database", acknowledgement = ack-nhfb, } @InProceedings{Cullum:1994:LAL, author = "Jane K. Cullum", title = "{Lanczos} Algorithms for Large Scale Symmetric and Nonsymmetric Matrix Eigenvalue Problems", crossref = "Brown:1994:PCL", pages = "11--31", year = "1994", bibdate = "Sat Jun 11 17:22:09 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; MathSciNet database", acknowledgement = ack-nhfb, } @Article{Crouzeix:1994:DM, subject-dates = "Oscar Buneman (28 September 1913--24 January 1993)", author = "M. Crouzeix and B. Philippe and M. Sadkane", title = "The {Davidson} method", journal = j-SIAM-J-SCI-COMP, volume = "15", number = "1", pages = "62--76", month = jan, year = "1994", CODEN = "SJOCE3", DOI = "https://doi.org/10.1137/0915004", ISSN = "1064-8275 (print), 1095-7197 (electronic)", ISSN-L = "1064-8275", MRclass = "65F15", MRnumber = "94k:65053", bibdate = "Tue Apr 29 18:25:50 MDT 1997", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/siamjscicomput.bib", acknowledgement = ack-nhfb, fjournal = "SIAM Journal on Scientific Computing", journal-URL = "http://epubs.siam.org/sisc", } @Article{Stathopoulos:1994:DPF, author = "Andreas Stathopoulos and Charlotte {Froese Fischer}", title = "A {Davidson} program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix", journal = j-COMP-PHYS-COMM, volume = "79", number = "2", pages = "268--290", month = apr, year = "1994", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/0010-4655(94)90073-6", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Mon Feb 13 21:29:43 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm1990.bib", URL = "http://www.sciencedirect.com/science/article/pii/0010465594900736", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", } @Article{Cullum:1996:AVN, author = "Jane Cullum", title = "{Arnoldi} versus nonsymmetric {Lanczos} algorithms for solving matrix eigenvalue problems", journal = j-BIT-NUM-MATH, volume = "36", number = "3", pages = "470--493", month = sep, year = "1996", CODEN = "BITTEL, NBITAB", DOI = "https://doi.org/10.1007/BF01731928", ISSN = "0006-3835 (print), 1572-9125 (electronic)", ISSN-L = "0006-3835", MRclass = "65F15", MRnumber = "97f:65027", bibdate = "Wed Jan 4 18:52:24 MST 2006", bibsource = "http://springerlink.metapress.com/openurl.asp?genre=issue&issn=0006-3835&volume=36&issue=3; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/bit.bib", note = "International Linear Algebra Year (Toulouse, 1995).", URL = "http://www.mai.liu.se/BIT/contents/bit36.html; http://www.springerlink.com/openurl.asp?genre=article&issn=0006-3835&volume=36&issue=3&spage=470", acknowledgement = ack-nhfb, journal-URL = "http://link.springer.com/journal/10543", } @Article{Sleijpen:1996:JDT, author = "Gerard L. G. Sleijpen and Albert G. L. Booten and Diederik R. Fokkema and Henk A. {Van der Vorst}", title = "{Jacobi--Davidson} type methods for generalized eigenproblems and polynomial eigenproblems", journal = j-BIT-NUM-MATH, volume = "36", number = "3", pages = "595--633", month = sep, year = "1996", CODEN = "BITTEL, NBITAB", DOI = "https://doi.org/10.1007/BF01731936", ISSN = "0006-3835 (print), 1572-9125 (electronic)", ISSN-L = "0006-3835", MRclass = "65F15 (65N25)", MRnumber = "97k:65095", bibdate = "Wed Jan 4 18:52:24 MST 2006", bibsource = "http://springerlink.metapress.com/openurl.asp?genre=issue&issn=0006-3835&volume=36&issue=3; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/bit.bib", note = "International Linear Algebra Year (Toulouse, 1995).", URL = "http://www.mai.liu.se/BIT/contents/bit36.html; http://www.springerlink.com/openurl.asp?genre=article&issn=0006-3835&volume=36&issue=3&spage=595", acknowledgement = ack-nhfb, fjournal = "BIT Numerical Mathematics", journal-URL = "http://link.springer.com/journal/10543", } @Article{Borges:1998:PDT, author = "Leonardo Borges and Suely Oliveira", title = "A Parallel {Davidson}-Type Algorithm for Several Eigenvalues", journal = j-J-COMPUT-PHYS, volume = "144", number = "2", pages = "727--748", day = "10", month = aug, year = "1998", CODEN = "JCTPAH", DOI = "https://doi.org/10.1006/jcph.1998.6003", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Mon Jan 2 07:55:27 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys1990.bib", URL = "http://www.sciencedirect.com/science/article/pii/S002199919896003X", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Article{Shavitt:1998:HEC, author = "Isaiah Shavitt", title = "The history and evolution of configuration interaction", journal = j-MOL-PHYS, volume = "94", number = "1", pages = "3--17", month = may, year = "1998", CODEN = "MOPHAM", DOI = "https://doi.org/10.1080/002689798168303", ISSN = "0026-8976 (print), 1362-3028 (electronic)", ISSN-L = "0026-8976", bibdate = "Wed Aug 16 05:49:02 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", URL = "https://www.tandfonline.com/doi/abs/10.1080/002689798168303", acknowledgement = ack-nhfb, author-dates = "Isaiah Shavitt (29 July 1929--8 December 2012)", fjournal = "Molecular Physics", journal-URL = "http://www.tandfonline.com/loi/tmph20", } @Article{Sleijpen:2000:JDI, author = "Gerard L. G. Sleijpen and Henk A. {Van der Vorst}", title = "A {Jacobi--Davidson} Iteration Method for Linear Eigenvalue Problems", journal = j-SIAM-REVIEW, volume = "42", number = "2", pages = "267--293", month = jun, year = "2000", CODEN = "SIREAD", DOI = "https://doi.org/10.1137/S0036144599363084", ISSN = "0036-1445 (print), 1095-7200 (electronic)", ISSN-L = "0036-1445", bibdate = "Sat Mar 29 09:56:15 MDT 2014", bibsource = "http://epubs.siam.org/toc/siread/42/2; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/siamreview.bib", URL = "http://epubs.siam.org/sam-bin/dbq/article/36308", acknowledgement = ack-nhfb, fjournal = "SIAM Review", journal-URL = "http://epubs.siam.org/sirev", onlinedate = "January 2000", } @Article{Knyazev:2001:TOP, author = "Andrew V. Knyazev", title = "Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method", journal = j-SIAM-J-SCI-COMP, volume = "23", number = "2", pages = "517--541", month = mar, year = "2001", CODEN = "SJOCE3", DOI = "https://doi.org/10.1137/S1064827500366124", ISSN = "1064-8275 (print), 1095-7197 (electronic)", ISSN-L = "1064-8275", bibdate = "Wed Jul 25 09:55:57 MDT 2001", bibsource = "http://epubs.siam.org/toc/sjoce3/23/2; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/siamjscicomput.bib", URL = "http://epubs.siam.org/sam-bin/dbq/article/36612", acknowledgement = ack-nhfb, fjournal = "SIAM Journal on Scientific Computing", journal-URL = "http://epubs.siam.org/sisc", } @Article{Leininger:2001:SSS, author = "Matthew L. Leininger and C. David Sherrill and Wesley D. Allen and Henry F. {Schaefer III}", title = "Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices", journal = j-J-COMPUT-CHEM, volume = "22", number = "13", pages = "1574--1589", month = oct, year = "2001", CODEN = "JCCHDD", DOI = "https://doi.org/10.1002/jcc.1111", ISSN = "0192-8651 (print), 1096-987X (electronic)", ISSN-L = "0192-8651", bibdate = "Thu Nov 29 14:54:35 MST 2012", bibsource = "http://www.interscience.wiley.com/jpages/0192-8651; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputchem2000.bib", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651", onlinedate = "2 Aug 2001", } @Article{Shepard:2001:SPA, author = "Ron Shepard and Albert F. Wagner and Jeffrey L. Tilson and Michael Minkoff", title = "The Subspace Projected Approximate Matrix ({SPAM}) Modification of the {Davidson} Method", journal = j-J-COMPUT-PHYS, volume = "172", number = "2", pages = "472--514", day = "20", month = sep, year = "2001", CODEN = "JCTPAH", DOI = "https://doi.org/10.1006/jcph.2001.6828", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Mon Jan 2 22:12:09 MST 2012", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys2000.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0021999101968287", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991/", } @Book{Cullum:2002:LAL, author = "Jane K. Cullum and Ralph A. Willoughby", title = "{Lanczos} algorithms for large symmetric eigenvalue computations", volume = "41", publisher = pub-SIAM, address = pub-SIAM:adr, pages = "xx + 268", year = "2002", ISBN = "0-89871-523-7 (paperback)", ISBN-13 = "978-0-89871-523-1 (paperback)", LCCN = "QA193 .C84 2002", bibdate = "Wed Jun 8 14:42:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; z3950.loc.gov:7090/Voyager", series = "Classics in applied mathematics", URL = "http://www.loc.gov/catdir/enhancements/fy0664/2002075847-d.html; http://www.loc.gov/catdir/enhancements/fy0664/2002075847-t.html", acknowledgement = ack-nhfb, remark = "Originally published: Boston:Birkh{\"a}user, 1985-, in series: Progress in scientific computing ; v. 3. v. 1. Theory.", subject = "Symmetric matrices; Data processing; Eigenvalues", } @Article{Cullum:2002:TSA, author = "Jane Cullum and Tong Zhang", title = "Two-Sided {Arnoldi} and Nonsymmetric {Lanczos} Algorithms", journal = j-SIAM-J-MAT-ANA-APPL, volume = "24", number = "2", pages = "303--319", year = "2002", CODEN = "SJMAEL", DOI = "https://doi.org/10.1137/S0895479898339013", ISSN = "0895-4798 (print), 1095-7162 (electronic)", ISSN-L = "0895-4798", bibdate = "Tue Oct 22 18:08:00 MDT 2002", bibsource = "http://epubs.siam.org/sam-bin/dbq/toc/SIMAX/24/2; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib", URL = "http://epubs.siam.org/sam-bin/dbq/article/33901", acknowledgement = ack-nhfb, fjournal = "SIAM Journal on Matrix Analysis and Applications", journal-URL = "http://epubs.siam.org/simax", } @Article{Shepard:2002:RCE, author = "Ron Shepard and Isaiah Shavitt and Hans Lischka", title = "Reducing {I/O} costs for the eigenvalue procedure in large-scale configuration interaction calculations", journal = j-J-COMPUT-CHEM, volume = "23", number = "11", pages = "1121--1125", month = aug, year = "2002", CODEN = "JCCHDD", DOI = "https://doi.org/10.1002/jcc.10022", ISSN = "0192-8651 (print), 1096-987X (electronic)", ISSN-L = "0192-8651", bibdate = "Thu Nov 29 14:54:39 MST 2012", bibsource = "http://www.interscience.wiley.com/jpages/0192-8651; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputchem2000.bib", acknowledgement = ack-nhfb, author-dates = "Isaiah Shavitt (29 July 1929--8 December 2012)", fjournal = "Journal of Computational Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651", onlinedate = "10 Jun 2002", } @Article{Johnson:2013:FLS, author = "Calvin W. Johnson and W. Erich Ormand and Plamen G. Krastev", title = "Factorization in large-scale many-body calculations", journal = j-COMP-PHYS-COMM, volume = "184", number = "12", pages = "2761--2774", month = dec, year = "2013", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/j.cpc.2013.07.022", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Mon Dec 2 12:04:52 MST 2013", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm2010.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0010465513002518", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", keywords = "BIGSTICK", } @Book{Arbenz:2016:LNS, author = "Peter Arbenz", title = "Lecture Notes on Solving Large Scale Eigenvalue Problems", publisher = "Computer Science Department, ETH Z{\"u}rich", address = "Z{\"u}rich, Switzerland", pages = "vi + 259", year = "2016", bibdate = "Mon Sep 04 10:05:42 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/pagerank.bib", URL = "https://people.inf.ethz.ch/arbenz/ewp/Lnotes/lsevp.pdf", acknowledgement = ack-nhfb, tableofcontents = "1 Introduction / 1 \\ 1.1 What makes eigenvalues interesting? / 1 \\ 1.2 Example 1: The vibrating string / 2 \\ 1.2.1 Problem setting / 2 \\ 1.2.2 The method of separation of variables / 5 \\ 1.3 Numerical methods for solving 1-dimensional problems / 6 \\ 1.3.1 Finite differences / 6 \\ 1.3.2 The finite element method / 7 \\ 1.3.3 Global functions / 8 \\ 1.3.4 A numerical comparison / 9 \\ 1.4 Example 2: The heat equation / 9 \\ 1.5 Example 3: The wave equation / 12 \\ 1.6 The 2D Laplace eigenvalue problem / 13 \\ 1.6.1 The finite difference method / 13 \\ 1.6.2 The finite element method (FEM) / 16 \\ 1.6.3 A numerical example / 20 \\ 1.7 Cavity resonances in particle accelerators / 21 \\ 1.8 Spectral clustering / 23 \\ 1.8.1 The graph Laplacian / 24 \\ 1.8.2 Spectral clustering / 25 \\ 1.8.3 Normalized graph Laplacians / 27 \\ 1.9 Google's PageRank / 28 \\ 1.10 Other sources of eigenvalue problems / 30 \\ Bibliography / 31 \\ 2 Basics / 33 \\ 2.1 Notation / 33 \\ 2.2 Statement of the problem / 34 \\ 2.3 Similarity transformations / 37 \\ 2.4 Schur decomposition / 38 \\ 2.5 The real Schur decomposition / 39 \\ 2.6 Normal matrices / 40 \\ 2.7 Hermitian matrices / 41 \\ 2.8 The Jordan normal form / 43 \\ 2.9 Projections / 45 \\ 2.10 The Rayleigh quotient / 47 \\ 2.11 Cholesky factorization / 49 \\ 2.12 The singular value decomposition (SVD) / 50 \\ Bibliography / 52 \\ 3 Newton methods / 53 \\ 3.1 Linear and nonlinear eigenvalue problems / 53 \\ 3.2 Zeros of the determinant / 54 \\ 3.2.1 Algorithmic differentiation / 55 \\ 3.2.2 Hyman's algorithm / 55 \\ 3.2.3 Computing multiple zeros / 58 \\ 3.3 Newton methods for the constrained matrix problem / 58 \\ 3.4 Successive linear approximations / 60 \\ Bibliography / 61 \\ 4 The $ Q R $ Algorithm / 63 \\ 4.1 The basic $ Q R $ algorithm / 63 \\ 4.1.1 Numerical experiments / 64 \\ 4.2 The Hessenberg $ Q R $ algorithm / 67 \\ 4.2.1 A numerical experiment / 69 \\ 4.2.2 Complexity / 70 \\ 4.3 The Householder reduction to Hessenberg form / 71 \\ 4.3.1 Householder reflectors / 71 \\ 4.3.2 Reduction to Hessenberg form / 71 \\ 4.4 Improving the convergence of the $ Q R $ algorithm / 73 \\ 4.4.1 A numerical example / 74 \\ 4.4.2 $ Q R $ algorithm with shifts / 75 \\ 4.4.3 A numerical example / 76 \\ 4.5 The double shift $ Q R $ algorithm / 77 \\ 4.5.1 A numerical example / 81 \\ 4.5.2 The complexity / 83 \\ 4.6 The symmetric tridiagonal $ Q R $ algorithm / 84 \\ 4.6.1 Reduction to tridiagonal form / 84 \\ 4.6.2 The tridiagonal $ Q R $ algorithm / 85 \\ 4.7 Research / 87 \\ 4.8 Summary / 87 \\ Bibliography / 88 \\ 5 Cuppen's Divide and Conquer Algorithm / 91 \\ 5.1 The divide and conquer idea / 91 \\ 5.2 Partitioning the tridiagonal matrix / 92 \\ 5.3 Solving the small systems / 92 \\ 5.4 Deflation / 93 \\ 5.4.1 Numerical examples / 94 \\ 5.5 The eigenvalue problem for $D + \rho v v^T$ / 95 \\ 5.6 Solving the secular equation / 98 \\ 5.7 A first algorithm / 99 \\ 5.7.1 A numerical example / 100 \\ 5.8 The algorithm of Gu and Eisenstat / 103 \\ 5.8.1 A numerical example [continued] / 104 \\ Bibliography / 107 \\ 6 LAPACK and the BLAS / 109 \\ 6.1 LAPACK / 109 \\ 6.2 BLAS / 110 \\ 6.2.1 Typical performance numbers for the BLAS / 111 \\ 6.3 Blocking / 113 \\ 6.4 LAPACK solvers for the symmetric eigenproblems / 114 \\ 6.5 Generalized Symmetric Definite Eigenproblems (GSEP) / 116 \\ 6.6 An example of a LAPACK routines / 116 \\ Bibliography / 122 \\ 7 Vector iteration (power method) / 125 \\ 7.1 Simple vector iteration / 125 \\ 7.2 Angles between vectors / 126 \\ 7.3 Convergence analysis / 127 \\ 7.4 A numerical example / 130 \\ 7.5 The symmetric case / 131 \\ 7.6 Inverse vector iteration / 135 \\ 7.7 The generalized eigenvalue problem / 139 \\ 7.8 Computing higher eigenvalues / 139 \\ 7.9 Rayleigh quotient iteration / 140 \\ 7.9.1 A numerical example / 143 \\ Bibliography / 144 \\ 8 Simultaneous vector or subspace iterations / 145 \\ 8.1 Basic subspace iteration / 145 \\ 8.2 Angles between subspaces / 146 \\ 8.3 Convergence of basic subspace iteration / 148 \\ 8.4 Accelerating subspace iteration / 153 \\ 8.5 Relation between subspace iteration and $ Q R $ algorithm / 158 \\ 8.6 Addendum / 161 \\ Bibliography / 161 \\ 9 Krylov subspaces / 163 \\ 9.1 Introduction / 163 \\ 9.2 Definition and basic properties / 164 \\ 9.3 Polynomial representation of Krylov subspaces / 165 \\ 9.4 Error bounds of Saad / 168 \\ Bibliography / 171 \\ 10 Arnoldi and Lanczos algorithms / 173 \\ 10.1 An orthonormal basis for the Krylov space Kj (x) / 173 \\ 10.2 Arnoldi algorithm with explicit restarts / 175 \\ 10.3 The Lanczos basis / 176 \\ 10.4 The Lanczos process as an iterative method / 178 \\ 10.5 An error analysis of the unmodified Lanczos algorithm / 185 \\ 10.6 Partial reorthogonalization / 187 \\ 10.7 Block Lanczos / 190 \\ 10.8 External selective reorthogonalization / 193 \\ Bibliography / 194 \\ 11 Restarting Arnoldi and Lanczos algorithms / 195 \\ 11.1 The $m$-step Arnoldi iteration / 195 \\ 11.2 Implicit restart / 196 \\ 11.3 Convergence criterion / 198 \\ 11.4 The generalized eigenvalue problem / 199 \\ 11.5 A numerical example / 201 \\ 11.6 Another numerical example / 206 \\ 11.7 The Lanczos algorithm with thick restarts / 210 \\ 11.8 Krylov--Schur algorithm / 213 \\ 11.9 The rational Krylov space method / 214 \\ Bibliography / 215 \\ 12 The Jacobi--Davidson Method / 217 \\ 12.1 The Davidson algorithm / 217 \\ 12.2 The Jacobi orthogonal component correction / 218 \\ 12.2.1 Restarts / 221 \\ 12.2.2 The computation of several eigenvalues / 221 \\ 12.2.3 Spectral shifts / 222 \\ 12.3 The generalized Hermitian eigenvalue problem / 224 \\ 12.4 A numerical example / 224 \\ 12.5 The Jacobi--Davidson algorithm for interior eigenvalues / 228 \\ 12.6 Harmonic Ritz values and vectors / 229 \\ 12.7 Refined Ritz vectors / 231 \\ 12.8 The generalized Schur decomposition / 233 \\ 12.9 JDQZ: Computing a partial $ Q Z $ decomposition / 233 \\ 12.9.1 Restart / 235 \\ 12.9.2 Deflation / 235 \\ 12.9.3 Algorithm / 236 \\ 12.10 Jacobi--Davidson for nonlinear eigenvalue problems / 236 \\ Bibliography / 239 \\ 13 Rayleigh quotient and trace minimization / 241 \\ 13.1 Introduction / 241 \\ 13.2 The method of steepest descent / 242 \\ 13.3 The conjugate gradient algorithm / 243 \\ 13.4 Locally optimal PCG (LOPCG) / 247 \\ 13.5 The block Rayleigh quotient minimization algorithm (BRQMIN) / 250 \\ 13.6 The locally-optimal block preconditioned conjugate gradient method (LOBPCG) / 250 \\ 13.7 A numerical example / 251 \\ 13.8 Trace minimization / 253 \\ Bibliography / 258", } @Article{Parrish:2016:BBD, author = "Robert M. Parrish and Edward G. Hohenstein and Todd J. Mart{\'\i}nez", title = "``{Balancing}'' the Block {Davidson--Liu} Algorithm", journal = j-J-CHEM-THEORY-COMPUT, volume = "12", number = "7", pages = "3003--3007", day = "12", month = jul, year = "2016", CODEN = "JCTCCE", DOI = "https://doi.org/10.1021/acs.jctc.6b00459", ISSN = "1549-9618 (print), 1549-9626 (electronic)", ISSN-L = "1549-9618", bibdate = "Tue Aug 15 13:08:04 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", acknowledgement = ack-nhfb, fjournal = "Journal of Chemical Theory and Computation", journal-URL = "http://pubs.acs.org/loi/jctcce", } @Article{Aktulga:2017:HPB, author = "Hasan Metin Aktulga and Md. Afibuzzaman and Samuel Williams and Aydin Buluc and Meiyue Shao and Chao Yang and Esmond G. Ng and Pieter Maris and James P. Vary", title = "A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations", journal = j-IEEE-TRANS-PAR-DIST-SYS, volume = "28", number = "6", pages = "1550--1563", month = jun, year = "2017", CODEN = "ITDSEO", DOI = "https://doi.org/10.1109/TPDS.2016.2630699", ISSN = "1045-9219 (print), 1558-2183 (electronic)", ISSN-L = "1045-9219", bibdate = "Thu Jun 15 05:46:51 MDT 2017", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/ieeetranspardistsys2010.bib", URL = "https://www.computer.org/csdl/trans/td/2017/06/07748453-abs.html", acknowledgement = ack-nhfb, journal-URL = "http://ieeexplore.ieee.org/xpl/RecentIssue.jsp?punumber=71", } @Article{Kelley:2020:MIG, author = "C. T. Kelley and J. Bernholc and E. L. Briggs and Steven Hamilton and Lin Lin and Chao Yang", title = "Mesh independence of the generalized {Davidson} algorithm", journal = j-J-COMPUT-PHYS, volume = "409", number = "??", pages = "Article 109322", day = "15", month = may, year = "2020", CODEN = "JCTPAH", DOI = "https://doi.org/10.1016/j.jcp.2020.109322", ISSN = "0021-9991 (print), 1090-2716 (electronic)", ISSN-L = "0021-9991", bibdate = "Wed May 27 13:36:14 MDT 2020", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputphys2020.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0021999120300966", acknowledgement = ack-nhfb, fjournal = "Journal of Computational Physics", journal-URL = "http://www.sciencedirect.com/science/journal/00219991", } @Article{Pollock:2021:EAA, author = "Sara Pollock and L. Ridgway Scott", title = "Extrapolating the {Arnoldi} Algorithm To Improve Eigenvector Convergence", journal = "arXiv.org", volume = "??", number = "??", day = "21", month = mar, year = "2021", bibdate = "Tue Aug 15 13:10:21 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "2103.08635", abstract = "We consider extrapolation of the Arnoldi algorithm to accelerate computation of the dominant eigenvalue\slash eigenvector pair. The basic algorithm uses sequences of Krylov vectors to form a small eigenproblem which is solved exactly. The two dominant eigenvectors output from consecutive Arnoldi steps are then recombined to form an extrapolated iterate, and this accelerated iterate is used to restart the next Arnoldi process. We present numerical results testing the algorithm on a variety of cases and find on most examples it substantially improves the performance of restarted Arnoldi. The extrapolation is a simple post-processing step which has minimal computational cost.", acknowledgement = ack-nhfb, } @Article{Rappoport:2023:LMO, author = "Dmitrij Rappoport and Samuel Bekoe and Luke Nambi Mohanam and Scott Le and Naje' George and Ziyue Shen and Filipp Furche", title = "\pkg{Libkrylov}: a modular open-source software library for extremely large on-the-fly matrix computations", journal = j-J-COMPUT-CHEM, volume = "44", number = "11", pages = "1105--1118", day = "30", month = apr, year = "2023", CODEN = "JCCHDD", DOI = "https://doi.org/10.1002/jcc.27068", ISSN = "0192-8651 (print), 1096-987X (electronic)", ISSN-L = "0192-8651", bibdate = "Fri Aug 25 09:22:22 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/jcomputchem2020.bib", acknowledgement = ack-nhfb, ajournal = "J. Comput. Chem.", fjournal = "Journal of Computational Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651", onlinedate = "13 January 2023", } @Article{Zbikowski:2023:BBL, author = "Ryan M. Zbikowski and Calvin W. Johnson", title = "Bootstrapped block {Lanczos} for large-dimension eigenvalue problems", journal = j-COMP-PHYS-COMM, volume = "291", number = "??", pages = "Article 108835", month = oct, year = "2023", CODEN = "CPHCBZ", DOI = "https://doi.org/10.1016/j.cpc.2023.108835", ISSN = "0010-4655 (print), 1879-2944 (electronic)", ISSN-L = "0010-4655", bibdate = "Thu Aug 10 07:51:47 MDT 2023", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/bibnet/authors/l/lanczos-cornelius.bib; https://www.math.utah.edu/pub/tex/bib/compphyscomm2020.bib", URL = "http://www.sciencedirect.com/science/article/pii/S0010465523001807", abstract = "The Lanczos algorithm has proven itself to be a valuable matrix eigensolver for problems with large dimensions, up to hundreds of millions or even tens of billions. The computational cost of using any Lanczos algorithm is dominated by the number of sparse matrix-vector multiplications required to reach suitable convergence. Block Lanczos replaces sparse matrix-vector multiplication with sparse matrix-matrix multiplication; sparse matrix-matrix multiplication is more efficient, due to improved data locality and amortizing the cost of fetching or constructing a matrix element, but for a randomly chosen starting block (or pivot), block Lanczos requires more multiplications to reach convergence. We find that a bootstrapped pivot block, that is, an initial block constructed from approximate eigenvectors computed in a truncated space, leads to a dramatically reduced number of multiplications, significantly outperforming both standard vector Lanczos and block Lanczos with a random pivot. A key condition for speed-up is that the pivot block has a non-trivial overlap with the final converged vector. We implement this approach in a configuration-interaction code for nuclear structure, and find a reduction in time-to-solution by a factor of two or more, up to a factor of ten.", acknowledgement = ack-nhfb, fjournal = "Computer Physics Communications", journal-URL = "http://www.sciencedirect.com/science/journal/00104655", }

%%% ==================================================================== %%% Cross-referenced and edited volumes must come last:

@Book{Hartree:1949:CIM, author = "Douglas R. (Douglas Rayner) Hartree", booktitle = "Calculating Instruments and Machines", title = "Calculating Instruments and Machines", publisher = pub-U-ILL, address = pub-U-ILL:adr, pages = "ix + 138", year = "1949", LCCN = "QA85 .H29", MRclass = "65.0X", MRnumber = "36588", MRreviewer = "H. H. Goldstine", bibdate = "Mon Nov 4 07:46:57 MST 2002", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/babbage-charles.bib; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/adabooks.bib; https://www.math.utah.edu/pub/tex/bib/annhistcomput.bib", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958)", keywords = "calculators; iterative methods; mathematical instruments; ordinary differential equations with one-point boundary conditions; ordinary differential equations with two-point boundary conditions; partial differential equations; simultaneous algebraic equations", remark = "Republished in the UK as \cite{Hartree:1950:CIM}, and in Volume VI of the Charles Babbage Institute Reprint Series for the History of Computing, MIT Press and Tomash Publishing, 1984.", tableofcontents = "1. Introduction \\ 2. The differential analyser \\ 3. The differential analyser and partial differential equations \\ 4. Some other instruments \\ 5. Introduction to large automatic digital machines \\ 6. Charles Babbage and the analytical engine \\ 7. The first stage of development \\ 8. Projects and prospects \\ 9. High-speed automatic digital machines and numerical analysis \\ References \\ Names index \\ Subject index", } @Book{Wilkes:1951:PPE, author = "Maurice V. Wilkes and David J. Wheeler and Stanley Gill", key = "Wilkes-1951-ppe", booktitle = "The Preparation of Programs for an Electronic Digital Computer", title = "The Preparation of Programs for an Electronic Digital Computer", publisher = pub-AW, address = pub-AW:adr, pages = "167", year = "1951", LCCN = "QA76.5 .W55 1951", bibdate = "Mon Feb 10 09:42:47 2020", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib; https://www.math.utah.edu/pub/tex/bib/elefunt.bib; https://www.math.utah.edu/pub/tex/bib/fparith.bib", URL = "", acknowledgement = ack-nhfb, tableofcontents = "Part I \\ Chapter 1. The Design of Programs for Electronic Computing Machines / 1 \\ 1-1 Introduction / 1 \\ 1-2 Types of automatic computing machines / 2 \\ 1-3 Description of the EDSAC / 3 \\ 1-4 The EDSAC order code / 5 \\ 1-5 Notes on the order code / 6 \\ 1-6 The use of conditional orders / 7 \\ 1-7 Modification of orders by the program / 8 \\ 1-8 Multiaddress codes / 11 \\ 1-9 Binary--decimal conversion / 12 \\ 1-10 Checking facilities / 14 \\ Chapter 2. Input of Orders / 15 \\ 2-1 Initial orders / 15 \\ 2-2 Pseudo-orders / 17 \\ 2-3 Examples / 17 \\ 2-4 Control combinations / 17 \\ 2-5 Starting the program / 18 \\ 2-6 Use of code letters / 19 \\ 2-7 Constants / 20 \\ 2-8 Notation / 20 \\ Chapter 3. Subroutines and Parameters / 22 \\ 3-1 Open subroutines / 22 \\ 3-2 closed subroutines / 22 \\ 3-3 preset parameters / 23 \\ 3-4 program parameters / 23 \\ Chapter 4. Library Subroutines and their Use in Constructing Programs / 25 \\ 4-1 Library catalog / 25 \\ 4-2 Input and output subroutines / 25 \\ 4-3 Division subroutines / 27 \\ 4-4 Trigonometrical and other functions / 27 \\ 4-5 Quadrature / 27 \\ 4-6 Assembly subroutines / 27 \\ 4-7 Integration of differential equations / 32 \\ 4-8 Processes, Interpretive subroutines / 34 \\ Chapter 5. Pitfalls / 38 \\ 5-1 Proofreading of programs, points to be checked / 38 \\ 5-2 Location of mistakes in a program / 39 \\ 5-3 Counting operations / 41 \\ Chapter 6. Use of the EDSAC \& Its Associated Equipment / 42 \\ 6-1 Tape Punching \& editing facilities / 42 \\ 6-2 Storage of library subroutines / 43 \\ 6-3 EDSAC organization / 43 \\ 6-4 EDSAC controls / 43 \\ Chapter 7. Examples / 45 \\ 7-1 Example 1. Calculation of $\exp(-\sin x)$ / 45 \\ 7-2 Example 2. Calculation of $\pi$ by evaluation of definite integral / 48 \\ 7-3 Alternative method for Example 2 / 52 \\ 7-4 Example 2, with extra print orders for checking / 53 \\ 7-5 Application of checking subroutine C11 to Example 2 / 54 \\ 7-6 Example of integration of an ordinary differential equation / 46 \\ 7-7 Evaluation of a definite integral / 61 \\ 7-8 Program to facilitate the solution of algebraic equation / 66 \\ Part II. Specifications of Library Subroutines / 72 \\ A. Subroutines to carry out floating point arithmetic / 73 \\ B. Subroutines to carry out arithmetical operations on complex numbers / 78 \\ C. Checking subroutines / 79 \\ D. Division subroutines / 82 \\ E. Exponential subroutines / 83 \\ F. General routines relating to functions / 84 \\ G. Subroutines for integration of ordinary differential equations / 86 \\ J. Subroutines for calculating special functions [Legendre polynomials] / 88 \\ K. Subroutines for the summation of power series / 88 \\ L. Subroutines for evaluating logarithms / 91 \\ M. Miscellaneous subroutines / 91 \\ P. Print subroutines / 92 \\ Q. Quadrature subroutines / 95 \\ R. Input subroutines / 96 \\ S. Subroutines for evaluation of fractional powers / 98 \\ T. Subroutines for calculating trigonometrical functions / 99 \\ U. Subroutines for counting operations / 101 \\ V1. Multiplication of vector by symmetric matrix / 102 \\ V2. Addition and subtraction of $n$ dimensional vectors / 103 \\ Part III. Programs of Selected Library Subroutines / 104 \\ Appendix A. Keyboard perforator code, etc. / 158 \\ Appendix B. The initial orders / 159 \\ Appendix C. Control combinations / 161 \\ Appendix D. Interpretive subroutines: example of packing of orders / 162 \\ Appendix E. Methods of counting in a simple cycle / 164 \\ Index", xxnote = "See also second edition \cite{Wilkes:1957:PPE}, and reprint \cite{Wilkes:1982:PPE}.", } @Book{Nicolson:1962:FTM, author = "Malcolm Macleod Nicolson", booktitle = "Fundamentals and Techniques of Mathematics for Scientists", title = "Fundamentals and Techniques of Mathematics for Scientists", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xx + 526", year = "1962", LCCN = "QA37 .N5 1961", bibdate = "Sat Aug 5 09:28:43 MDT 2023", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/bibnet/authors/h/hartree-douglas-r.bib", note = "Substantially edited, and completed, by Douglas R Hartree and Daphne G. Padfield, following the accidental death of Malcolm Macleod (M. M.) Nicolson. For more on that sad event, see {\tt https://mathshistory.st-andrews.ac.uk/Biographies/Nicolson/}.", acknowledgement = ack-nhfb, author-dates = "Douglas Rayner Hartree (27 March 1897--12 February 1958); Malcolm Macleod Nicolson (6 July 1919--21 December 1951)", remark = "From \cite{Phillips:1963:BRF}: ``Dr. Nicolson was killed in an accident before the manuscript was completed, and his material has been edited by D. R. Hartree and Daphne G. Padfield. Their task was considerable, both in pruning the material and in filling out Dr. Nicolson's uncompleted outline. Owing to Professor Hartree's death in 1958, Dr. Padfield must be given credit for the final form. But the orig