61. À§´ëÇѼöÇÐÀÚ ¸ñ·Ï England Died 8 Oct 1994 in Lake District, England hartree, douglas Rayner hartreeBorn 27 March 1897 in Cambridge, Cambridgeshire, England Died 12 Feb 1958 http://www.mathnet.or.kr/API/?MIval=people_seek_great&init=H

62. Historic Books Panorama Xel Technical report, Doran collection. hartree, douglas R. Calculating Instrumentsand Machines. University of Illinois Press. Summary of state of the art. http://www.cs.auckland.ac.nz/~bob/Old Books for Web/Historicbooks1.html

University of Auckland Historical Computing Book Collection Prior to 1956 BIRD, Golding Calculating Machines Extracted from the "Elements of Natural Philosophy" Edited by Chas. Brooke Booklet Doran collection Dick and FitzGerald Dick's Complete Log and Lumber Measurer Dick and FitzGerald, New York Ready reckoner Book Doran collection TURCK, J. A. V. Origin of Modern Calculating Machines The Western Society of Engineers, Chicago A popular account of the history of mechanical calculators. Signed by the author. Book Doran collection BAEHNE G.W. (Ed.) Practical Applications of the Punched Card Method in Colleges and Universities Columbia University Press A collection of articles. Nice plates illustrating equipment. 1948 printing. Book Industrial Research Ltd ECKERT W.J. Punched Card Methods in Scientific Computation The Thomas J. Watson Astronomical Computing Bureau, Columbia University Pre-computer techniques for large-scale computation using punch card equipment. Book Industrial Research Ltd HARTKEMEIER Harry P. Principles of Punch-Card Machine Operation Thomas Y. Crowell Company

63. Hartree http//www.man.ac.uk/Science_Engineering/CHSTM/contents/har.htm douglasRayner hartree. Professor douglas R. hartree (18971958) was http://indykfi.atomki.hu/indyKFI/MT/hartree.htm

http://www.man.ac.uk/Science_Engineering/CHSTM/contents/har.htm Douglas Rayner Hartree Professor Douglas R. Hartree (1897-1958) was one of the most influential mathematicians and computer pioneers of his day, whose work bridged both the calculating machine and electronic digital eras. As Beyer Professor of Applied Mathematics at Manchester University in the mid 1930s, Hartree built a differential analyzer based upon the machine of the American, Vannevar Bush. Hartree's international reputation ensured that he kept in close touch with American developments, and during the Second World War he became involved with the ENIAC project. On his return to England (where he had accepted a chair at Cambridge University) Hartree publicised American activities and was an enthusiastic supporter of British efforts to build stored program computers. References : M.V. Wilkes' introduction to Hartree, Calculating Machines etc. (Cambridge, Mass.; MIT Press, 1984). A small number of Hartree papers are deposited in the Archives of Churchill College, Cambridge. See listing by Contemporary Scientific Archives Centre (CSAC 45/9/76). Copy in NAHC. The collection comprises one box of archival material.

64. Computer Laws (?Robert Heinlein). hartree s Law Whatever the state of a project, the time aprojectleader will estimate for completition is constant. (douglas hartree). http://www.sysprog.net/quotlaws.html

SITE SERVICES Contact Us Search Site Map MORE QUOTES Main page What they said Computer laws Asia ... Quotations Computer laws DON'T PANIC! The Hitchhiker's Guide to the Galaxy (cover) Amdahl's Law: The speed-up achievable on a parallel computer can be significantly limited by the existence of a small fraction of inherently sequential code which cannot be parallelised. (Gene Amdahl) Augustine's Second Law of Socioscience: For every scientific (or engineering) action, there is an equal and opposite social reaction. (Norman Augustine) Benford's Law: Passion is inversely proportional to the amount of real information available. (Gregory Benford) Brooks' Law: Adding manpower to a late software project makes it later. (Frederick P Brooks Jr) Church-Turing Thesis: Every function which would naturally be regarded as computable can be computed by the universal Turing machine. Clarke's First Law: When a distinguished but elderly scientist states that something is possible he is almost certainly right. When he states that something is impossible, he is very probably wrong. (Arthur C Clarke) Clarke's Second Law: The only way of discovering the limits of the possible is to venture a little way past them into the impossible. (Arthur C Clarke)

65. Simon Finch Inaugural Lecture. Author hartree, douglas R. More Details.. TitleCowboy Kate other stories. Author HASKINS, Sam. More Details.. http://www.simonfinch.com/pages/alpharesults.php?selLetter=H

66. DIFFERENTIAL ANALYZER DIFFERENTIAL ANALYZER. For articles on related subjects see ANALOG COMPUTER;BUSH, VANNEVAR; DIGITAL COMPUTERS HISTORY EARLY; and hartree, douglas. http://scoter2.union.edu/~hemmendd/Encyc/Articles/Difanal/difanal.html

DIFFERENTIAL ANALYZER For articles on related subjects see ANALOG COMPUTER; BUSH, VANNEVAR; DIGITAL COMPUTERS: HISTORY: EARLY; and HARTREE, DOUGLAS. In a paper published in the Journal of the Franklin Institute in 1931, Vannevar Bush described a machine (Fig. 1) that had been constructed under his direction at M.I.T. for the purpose of solving ordinary differential equations. He christened the machine a differential analyzer . This was what would now be called an "analog" computer, and was based on the use of mechanical integrators that could be interconnected in any desired manner. The integrator was in essence a variable-speed gear, and took the form of a rotating horizontal disk on which a small knife-edged wheel rested. The wheel was driven by friction, and the gear ratio was altered by varying the distance of the wheel from the axis of rotation of the disk. The principle is illustrated in Fig. 2. The use of mechanical integrators for solving differential equations had been suggested by Kelvin, and various special-purpose integrating devices were constructed at various times. Bush's differential analyzer was, however, the first device of sufficiently general application to meet a genuine need, and in the period immediately before and during World War II quite a number of these devices were constructed. The one shown in Fig. 4 was installed at the Mathematical Laboratory in Cambridge, England. The integrators and torque amplifiers can be clearly seen in Fig. 4, together with the system of shafting used for effecting the connections. Changing the problem was a job for someone who did not mind hands covered in oil. The output table on which the results were plotted directly in graphical form can be seen in Fig. 4, which also shows a number of similar tables that were used for input, an operator being employed to turn a handle so that a cursor followed a curve. It is a comment on the primitive state of automatic control in the period in question that automatic curve-following devices were not provided until later. The accuracy attainable in a single integrator was about one part in three thousand, but of course a lower accuracy was to be expected in the solution.

67. Biographies Of Scientists douglas Rayner hartree. Born 27 March 1897 in Cambridge, Cambridgeshire, England. douglashartree s school education was in Cambridge and Petersfield. http://www.chm.bris.ac.uk/pt/harvey/elstruct/biogs.html

Molecular Electronic Structure Biographical Details of the Scientists Mentioned in the Course Most of the biographies and pictures on this page were taken from the MacTutor History of Mathematics Archive Walter Kohn Born: 1923 in Vienna, Austria. Walter Kohn received the Nobel prize for Chemistry in 1998, mainly for his many ground-breaking contributions to Density-Functional Theory . You can read about him on the Nobel prize site. John A. Pople Born: 31 October 1925 in Burnham-on-Sea, Somerset. John Kohn received the Nobel prize for Chemistry in 1998, for the tremendous work he has done over the years making computational chemistry into a powerful, flexible method for use by all sorts of chemists. You can read about him on the Nobel prize site. Vladimir Aleksandrovich Fock Born: 22 December 1898 in St Petersburg, Russia. Died: 27 December 1974 in St Petersburg, Russia. Vladimir A.Fock was born on 22 December 1998 in StPeterburg and died in the same town on 27 december 1974. He graduated from StPetersburg (Petrograd) University and, with exception of war and several post war years, his life was associated with St.Peterburg (Leningrad) where he was teaching at the University for more than 40 years. During this time he made fundamental contributions to quantum theory reflected in such notions as Fock space, HartreeFock method and others. Gerhard Herzberg Born: 25 December 1904 in Hamburg, Germany

68. Biographies Of Computer Pioneers A-J technology; Harron, Ducos de;; Harris, Peter; Founded ADPAC Corporationin 1963; hartree, douglas Rayner ; (18971958); Hawking, Stephen http://www.thocp.net/biographies/biographies.htm

Biographies Pioneers of computing A-J This index mentions most of the computer pioneers and their inventions, or other important people in computers or computing industry. Due to the length of the index we have cut the index into two parts: [A-J] and [K-Z] you can navigate through both parts via the alfabeth icon (see below) from both pages; they have identical mappings. Sometimes a link will bring you to external sites, use the back button of your browser to come back. If you see in-active or un-linked pages, they are either under revision or will be added in the future. So come back often, or press the what's new hotspot on the main page Recently we have added a list of historic papers as they are referenced via the biographies, readers asked us to insert an index page for easier retrieval: Though we think this list to be fairly complete please if you find omissions A Aiken, Howard A. Harvard Mark I Alkhowarizmi mathematics, , ancient mathematician, the number Allen, Paul

69. New Scientist The Last Word Science Questions And Answers Answers. My grandfather douglas hartree used Meccano to build several largecalculus machines for numerical analysis in the 1940s and 1950s. http://www.newscientist.com/lastword/article.jsp?id=lw648

70. Kernphysik Translate this page Kp 7, hartree, douglas R. The calculation of atomic structures Based on lecturesgiven under the auspices of the William P. Philips Fund, London Wiley 1957, XIII http://www.sternwarte.uni-erlangen.de/~ailib/buch/kp.html

Kernphysik Standort: II/D-1 Kp 1 Stormer, Carl Resultats des calculs numeriques des trajectoires des corpuscules electriques dans le champ d'un aimant elementaire Kristiana Dybwad, x Kp 2 Sommerfeld, Arnold Atombau und Spektrallinien Braunschweig Vieweg 1922, 3., umgearb. Aufl. XI, 764 S. : Ill., graph. Darst. x Kp 3 Riezler, Wolfgang Einfuehrung in die Kernphysik Leipzig Bibliograph.Inst. 1944, 3., erw.Aufl. 240 S. : graph.Darst. x Kp 4 Buchwald, Eberhard Das Doppelbild von Licht und Stoff Kapitel aus der alten und neuen Physik 160 S. : Ill., graph. Darst. x Kp 5 Oldenberg, Otto Introduction to atomic physics New York [u.a.] McGraw-Hill 1949, XIII, 373 S. x Kp 6 Hund, Friedrich Materie als Feld eine Einfuehrung Berlin [u.a.] Springer 1954, VIII, 418 S. : graph. Darst. x Kp 7 Hartree, Douglas R. The calculation of atomic structures Based on lectures given under the auspices of the William P. Philips Fund London Wiley 1957, XIII, 181 S. x Kp 8 Spol'skij, Eduard V., Schpolski, Eduard W. Atomphysik Atomnaja fizika , Spaeter im Verl. Barth, Leipzig u.a. erschienen . - Aus dem Russ. uebers., Baende 1-2

71. Autorenliste H Translate this page Hartline, Dr. Haldan Keffer, 1983, 21.12.2003. Hartmann, Nicolai, 1950,19.02.2004. hartree, douglas, 1958, 26.03.2004. Hartung, Hans, 1989, 24.12.2003. http://www.vossweb.info/zitatesammler/menu/autor/h/100

if(top!=self) top.location=self.location; var breite=screen.width; var hoehe=screen.height-25; self.resizeTo(breite,hoehe); self.moveTo(0,0); Zitate-Sammler helfen sich gegenseitig... Startseite Forum Autoren Kontakt Autoren-Liste H: Trotzdem kann sie lediglich als Anhaltspunkt, nicht jedoch als rechtliche Grundlage dienen!!! Anfangsbuchstaben aus. Farb-Kennzeichnung (Ampel-Prinzip) Zitate urheberrechtsfrei A B C D ... Z Autoren 101 - 150 von 500 weitere Seiten: H Name Sterbe-Jahr Rechte-Inhaber WebSite EMail Freigabe / Stand Harnack, Adolf von Harper, Jessica Harpo, Harriman, William Harring, Laura Harris, Ed Harris, Julie Harris, Richard Harrison, Benjamin Harrison, George Harrison, Rex Harrison, William Henry Harry, Debbie Hart, Heinrich Hart, Julius Hart, William Hartline, Dr. Haldan Keffer Hartman, Lisa Hartmann, Nicolai Hartree, Douglas Hartung, Hans

72. NCUACS Homepage Bodleian Library, Oxford. hartree, douglas Rayner (18971958) CSAC no. 45/9/76,4pp. Mathematics. Christ s College, Cambridge. HEATLEY, Norman George (b.1911). http://www.bath.ac.uk/ncuacs/catlist2.htm

NCUACS homepage Summary list of CSAC and NCUACS catalogues: arranged alphabetically The list gives the scientist's name and dates, followed by the catalogue number and number of pages, the subject area, and the place of deposit. Copies of NCUACS catalogues may be purchased from the Unit, and terms are available on request A-B C, D E-G ... W-Z Last updated 28 May 2004. T.E.Powell@bath.ac.uk Alphabetical Guide to CSAC and NCUACS catalogues List of CSAC and NCUACS catalogues: chronological List of CSAC and NCUACS catalogues: by discipline List of CSAC and NCUACS catalogues: by repository A, B The list gives the scientist's name, dates and subject area, followed by the catalogue number and number of pages, and the place of deposit. A ABRAHAM, Sir Edward Penley (1913-1999), biochemist. NCUACS no. 103/2/02, 233 pp., Bodleian Library, Oxford ADAMS, John Frank (1930-1989), mathematician. NCUACS no. 26/2/91, 119pp and NCUACS no. 34/2/92, 40pp. . Trinity College, Cambridge APPLETON, Sir Edward Victor (1892-1965), ionospheric physics CSAC no. 82/6/81, 172pp. Edinburgh University Library ARKELL, William Joscelyn (1904-1958), geologist. NCUACS no. 102/1/02, 156 pp., Library, Oxford University

73. Guide H hartree, douglas Rayner (18971958) CSAC no. 45/9/76, 4pp. Mathematics. Christ sCollege, Cambridge. hartree, douglas Rayner, 1897-1958. Mathematician. http://www.bath.ac.uk/ncuacs/guideh.htm

NCUACS homepage Guide List of Contents Guide to the manuscript papers of British scientists: H ACCESS ARRANGEMENTS The collections described in this guide have been catalogued by the CSAC at Oxford and the NCUACS at the University of Bath, and subsequently deposited in libraries and archives throughout the UK. Inclusion in this guide does not imply that collections will be available for research. There are restrictions on access to items in a number of the collections and researchers should always consult the appropriate repository before planning a visit. New Most of the catalogues compiled by the Unit can now be viewed online through the Access to Archives website at the Public Record Office. Direct links to the catalogues are being (gradually) added from this Guide To view the full-text catalogue, please click on the link under Finding Aid Note, some catalogues are very extensive and may take a few moments to download. An indication of the size of the file is provided. HANSON , Emmeline Jean (1919-1973) CSAC no. 51/5/77, 25pp. Biophysics (Muscle) King's College, London HARDY , Sir Alister Clavering (1896-1985). Knight, zoologist. NCUACS no. 5/4/88, 98pp. Bodleian Library, Oxford

74. 9. Relativistic All-electron Approximations At present the douglasKroll implementation can be used at all levels of theorywhereas Dyall s approach is currently available at the hartree-Fock level. http://viper.bii.a-star.edu.sg/nwchem-docs/user/node11.html

Next: 10. Hartree-Fock or Self-consistent Up: user Previous: 8. Effective Core Potentials Contents Subsections 9.1 Douglas-Kroll approximation 9.2 Dyall's Modified Dirac Hamitonian approximation 9. Relativistic All-electron Approximations All methods which include treatment of relativistic effects are ultimately based on the Dirac equation, which has a four component wave function. The solutions to the Dirac equation describe both positrons (the ``negative energy'' states) and electrons (the ``positive energy'' states), as well as both spin orientations, hence the four components. The wave function may be broken down into two-component functions traditionally known as the large and small components; these may further be broken down into the spin components. The implementation of approximate all-electron relativistic methods in quantum chemical codes requires the removal of the negative energy states and the factoring out of the spin-free terms. Both of these may be achieved using a transformation of the Dirac Hamiltonian known in general as a Foldy-Wouthuysen transformation. Unfortunately this transformation cannot be represented in closed form for a general potential, and must be approximated. One popular approach is that originally formulated by Douglas and Kroll and developed by Hess . This approach decouples the positive and negative energy parts to second order in the external potential (and also fourth order in the fine structure constant

75. © 1998-2002 Sommerfeld-Projekt. Ausgelesen Am 29. Dezember 2002 hartree,douglas R. (1897-1958); Morse, Philip M. (1903-1985); Vallarta, Manuel S http://www.lrz-muenchen.de/~Sommerfeld/BriefDat/03770.html

Vannevar Bush an Arnold Sommerfeld, 10. September 1932 Archiv: (Archiv HS 1977-28/A,47) Brief (2 Seiten) aus Cambridge, MA; Sprache: englisch, Schrift: Maschine. Stichworte Personen: Caldwell, Samuel H. (*1904); Debye, Peter (1884-1966); Hartree, Douglas R. (1897-1958); Morse, Philip M. (1903-1985); Vallarta, Manuel S. (1898-1977) Wissenschaft: Institution: Cambridge, MA, Massachusetts Institute of Technology Start Biographie Projekt Online-Suche

76. Arnold Sommerfeld hartree, douglas R. (1897-1958);Helmholtz, Hermann (1821-1894); Helmholtz, Mutter Hermann; Hertz http://www.lrz-muenchen.de/~Sommerfeld/BriefDat/04195.html

Arnold Sommerfeld , nach 1. September 1922 Archiv: (Archiv NL 89, 024, Mappe Verschieden) Manuskript (32 Seiten); Sprache: deutsch, Schrift: lateinisch. Stichworte Personen: Wissenschaft: Reihen: Assistenten; Reise; Studenten; Vorlesung Institution: Carnegie Institution; Evanston, Observatory; Harvard, U; Institut, Physik; Lincoln, University of Nebraska; Madison, University of Wisconsin; National Research Council; Princeton, U Start Biographie Projekt Online-Suche

77. The Science Bookstore - Chronology Blau, Henry F. Born 5/16/1897, 1897 AD, hartree, douglas Born 5/27/1897,1897 AD, JoliotCurie, Irene Born 9/12/1897 Died 3/17/1956, 1897 AD, http://www.thesciencebookstore.com/chron.asp?pg=26

78. John Clarke Slater Papers, 1908-1976 Harrison, George Russell, 1898; hartree, douglas R. (douglas Rayner),1897-1958; Herman, Frank; Hove, L. van (Leon); Howarth, DJ; Jaeger http://www.amphilsoc.org/library/mole/s/slater.htm

John Clarke Slater Papers (81 linear feet) B S12p American Philosophical Society 105 South Fifth Street * Philadelphia, PA 19106-3386 Table of contents Abstract Background note Scope and content Administrative information Restrictions on use ... Quarterly Reports #1-73, 1951-1970 Return to MOLE: APS Manuscripts On-Line Return to APS Library Return to APS home Background note Slater served as chair of the Department of Physics until 1952, when he was appointed MIT's first Institute Professor and Harry B. Higgins chair, allowing him even greater latitude in pressing his interdisciplinary agenda. After a year spent at Brookhaven Laboratories, he returned to MIT to help establish the renowned group in solid state and molecular theory and the interdisciplinary Center for Materials Science and Engineering, the Research Laboratory of Electronics, and the Laboratory for Nuclear Science. The new perspectives on materials science emanating from these groups was instrumental in the development of the transistor, in part through the doctoral work of one of Slater's best known students, William Shockley. After Slater retired from MIT in 1966, he was hired by the University of Florida as Graduate Research Professor of Physics and Chemistry, remaining active at both institutions until his death in 1976. Slater's voluminous publications include several key works in shaping the several fields in which worked, including

79. Temp1 - Zapn06 - Generated By Personal Ancestral File As he had no children, he intended a cousin, Major Andrew douglas, who livedwith him at hartree, to be his heir, but he outlived him, and died in 1817 http://perso.wanadoo.fr/euroleader/wedderburn/blackness/zapn06.htm

The Wedderburns Notes Sir Alexander WEDDERBURN of Blackness Clerk of Dundee, 1633-75, a man of much importance in the affairs of his time. David DICKSON THE DICKSONS OF HARTREE Little is known of James Dickson, who was the eldest son of Lord Hartree's second marriage; he had a charter of Hartree from his father in 1657, and he transferred these lands in 1663 to his younger and only surviving brother, David. David Dickson was born in 1644, and married (contract dated 30th May, 1665) Helen, third daughter of Sir Alexander Wedderburn of Blackness, and died in or before February, 1668, leaving two sons, John (who succeeded) and David. He acquired in 1665 from his uncle, James Dickson, the lands of Stane. Alexander Dickson, who became Colonel of the 16th Regiment of Foot, was born in 1743, and was served heir to his three cousins, the ladies foresaid, on 11th July, 1794. He married Susanna Jane, daughter of Sir Henry Moore, Governor of New York, and afterwards divorced her. The old tower of Hartree was demolished by him, and he built the older part of the present house on an adjoining site. As he had no children, he intended a cousin, Major Andrew Douglas, who lived with him at Hartree, to be his heir, but he outlived him, and died in 1817, leaving his lands in Kilbucho to his relative, John Dickson of Kilbucho and Coulter, subject to a liferent in favour of Euphemia Helen Smeaton, the widow of Major Andrew Douglas. Sir Peter WEDDERBURN Admitted as advocate, rose to be clerk to the Privy Council, and a Lord of Session, under the title of Lord Gosford, which he took from the estate of Gosford, county of Lothian, purchased by him from Sir Alexander Auchmuthie in 1659.

80. MOLECULAR MODELING This was developed in the 1930s by douglas hartree, a British mathematician andVladimir Fock, a Russian physicist, but was not widely used until digital http://web.centre.edu/che/che131_lab/MolecularModeling.htm

MOLECULAR MODELING Chemists frequently use models to better understand chemical phenomena. In this laboratory models are used to analyze chemical bonding and molecular structure. We will start with the Lewis electron dot (Localized Electron) model and use it to predict the electronic structure of some simple molecules. We will then use ball-and-stick models to construct three-dimensional models of those molecules. The three-dimensional models will be refined using Gillespie’s Valence Shell Electron Pair Repulsion (VSEPR) model . Finally, we will use Spartan , a computational chemistry program, to calculate the molecular geometry. The results from Spartan will then be compared with the VSEPR results. Computational chemistry , are beyond the reach of current computer hardware/algorithms. To model the properties of larger (and more interesting) molecules, chemists must use some form of approximate computational method. The simplest, and thus fastest, computational method is called molecular mechanics . In molecular mechanics the bonds of a molecule are treated as springs and the force constants of the springs are determined from experimental measurements. The overall molecular energy is the sum of the energies of stretching, bending and torsion (the molecular force field) for all of the bonds in the molecule. Although molecular mechanics ignores electronic properties, it gives quite good structural results for large molecules such as proteins. Drug companies performed much of the pioneering work on molecular mechanics. Spartan uses a molecular mechanics program called MMFF (for Merck Molecular Force Field) developed by Merck Pharmaceuticals and one called SYBYL developed by Tripos, Inc., a St. Louis drug discovery company.

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