Douglas R. Hartree - Search - Anna’s Archive

Search settings

Order by

Advanced

Search descriptions and metadata comments

Add specific search field

Content

Filetype open our viewer

more…

Access

Source

Language

more…

Display

Search settings

Download Journal articles Digital Lending Metadata

Results 1-14 (14 total)

ia/numericalanalysi0000doug.pdf

Numerical Analysis Douglas R. Hartree Clarendon Press, 1958-01-01

English [en] · PDF · 17.2MB · 1958 · 📗 Book (unknown) · 🚀/ia · Save

base score: 11065.0, final score: 167500.36

ia/numericalanalysi0000hart.pdf

Numerical analysis Douglas R. Hartree Oxford, Clarendon Press [1961], 2d ed., Oxford, Clarendon Press [1961], oxk, 1961

xvi, 302 p. diagrs., tables. ; 25 cm Bibliography: p. [293]-297

English [en] · PDF · 15.9MB · 1961 · 📗 Book (unknown) · 🚀/ia · Save

base score: 11068.0, final score: 167500.23

nexusstc/Calculating Instruments and Machines/201b6713d38d539e189789ee509cb5d2.djvu

Calculating Instruments and Machines Douglas R. Hartree Urbana, 1949

Cover Title page Preface 1. INTRODUCTION 2. THE DIFFERENTIAL ANALYSER 2.1. The Nature of the Problem of Instrumental Solution of DifferentiaI Equations 2.2. Integrating Mechanisms 2.3. The General Idea of the DifferentiaI Analyser 2.4. General Structure of the Earlier Forms of DifferentiaI Analyser 2.5. A New Differential Analyser 2.6. Using the Differential Analyser 2.7. Regenerative Connections 2.8. Automatic Generation of Any Function 2.9. Other Forms of Differential Analyser 2.10. Boundary Conditions in Numerical and Mechanical Integration of Differential Equations 2.11. Applications 3. THE DIFFERENTIAL ANALYSER AND PARTIAL DIFFERENTIAL EQUATIONS 3.1. Introduction 3.2. Replacement of the t-Derivative by a Finite Difference 3.3. Replacement of the x-Derivative by Finite Differences 3.4. Discussion of the Two Methods 3.5. Examples of Application ta Equations of "Parabolic" Type 3.6. Hyperbolic Equations 3.7. Use of "Characteristics" 3.8. Another Application of Characteristics 4. SOME OTHER INSTRUMENTS 4.1. Introduction 4.2. Solution of Simultaneous Linear Algebraic Equations 4.3. The Isograph 4.4. Fourier Synthesisers 4.5. Integrating Instruments 4.6. Directors 5. INTRODUCTION TO LARGE AUTOMATIC DIGITAL MACHINES 5.1. Historical 5.2. Structure and Function in Calculating lVIacl1ines 5.3. Functions to Be Provided in an Automatic Digital Machine 5.4. Representation of Numbers in the Machine 5.5. Arithmetical Operations 5.6. Serial (Suceessive) and Parallel (Simultaneous) Operations 5.7. Static and Dynamic Storage 5.8. Control and the Form of the Operating Instructions 6. CHARLES BABBAGE AND THE ANALYTICAL ENGINE 6.1. Babbage's Calculating Engines 6.2. Babbage's Analytical Engine 6.3. Control in the Analytical Engine 6.4. Organization of Calculations for the Analytical Engine 7. THE FIRST STAGE OF DEVELOPMENT 7.1. The Harvard Mark l Calculator 7.2. Control in the Harvard Mark 1 Machine 7.3. Relay Machines 7.4. The Eniac 7.5. Control in the Eniac 7.6. Centralised Control System of the Eniac 7.7. The I.B.M. Selective Sequence Electronic Calculator 7.8. An Application of the Eniac 7.9. The "Machine's-Eye View" in Programming a Calculation 8. PROJECTS AND PROSPECTS 8.1. The Main Directions of Development 8.2. Storage Systems 8.3. Serial Machines Using Delay-Line Storage 8.4. Functional Analysis of Serial Machines 8.5. Arithmetical Operation 8.6. Control 8.7. Parallel Machines 8.8. Other Types of Machine 8.9. Programming ancl Coding 9. HIGH-SPEED AUTOMATIC DIGITAL MACHINES AND NUMERICAL ANALYSIS 9.1. Introduction 9.2. Iterative Methods 9.3. Simultaneous Algebraic Equations 9.4. Solution of Ordinary Differential Equations 9.5. Solution of Ordinary Differential Equations with One-Point Boundary Conditions 9.6. Solution of Ordinary Differential Equations with Two-Point Boundary Conditions 9.7. Partial DifferentiaI Equations REFERENCES NAME INDEX SUBJECT INDEX

English [en] · DJVU · 11.0MB · 1949 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11055.0, final score: 167500.22

nexusstc/Numerical Analysis/28ab49a8d3530b03a032535f5da55d9f.pdf

Numerical Analysis D.R. Hartree (F.R.S.) Oxford University Press, Second Edition, 1958

A classic book on numerical analysis by one of the pioneers of Mathematical Physics, D.R. Hartree's work made significant impact in the fields of Condensed Matter Physics and Quantum Chemistry.

English [en] · PDF · 15.9MB · 1958 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11065.0, final score: 167498.14

Your ad here.

ia/calculationofato0000hart.pdf

The calculation of atomic structures Douglas R. Hartree J. Wiley, Structure of matter series, New York, New York State, 1957

181 pages : 24 cm

English [en] · PDF · 9.7MB · 1957 · 📗 Book (unknown) · 🚀/ia · Save

base score: 11068.0, final score: 167497.5

ia/calculatinginstr0000doug.pdf

Calculating instruments and machines Douglas R. Hartree Univ. of Illinois Press, Urbana, Illinois, 1949

English [en] · PDF · 10.5MB · 1949 · 📗 Book (unknown) · 🚀/ia · Save

base score: 11065.0, final score: 167484.8

lgli/Ch_Chemistry/ChCm_Quantum and computational/Hartree D.R. The calculation of atomic structures (Wiley, 1957)(600dpi)(T)(188s)_PQm_.djvu

The calculation of atomic structures Douglas R. Hartree John Wiley and Sons, 1957

English [en] · DJVU · 9.5MB · 1957 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11052.0, final score: 167482.03

hathi/wu/pairtree_root/89/06/89/27/51/6/89068927516/89068927516.zip

Numerical analysis. Hartree, Douglas R. 1897-1958. Clarendon Press, 1952., England, 1952

English [en] · ZIP · 0.4MB · 1952 · 📗 Book (unknown) · 🚀/hathi · Save

base score: 10937.0, final score: 167412.33

hathi/mdp/pairtree_root/39/01/50/01/33/00/94/39015001330094/39015001330094.zip

The calculation of atomic structures. Hartree, Douglas R. 1897-1958. J. Wiley, 1957., New York State, 1957

English [en] · ZIP · 0.2MB · 1957 · 📗 Book (unknown) · 🚀/hathi · Save

base score: 10937.0, final score: 167392.44

Your ad here.

hathi/mdp/pairtree_root/39/01/50/86/43/56/93/39015086435693/39015086435693.zip

Some practical methods of using characteristics in the calculation of non-steady compressible flow / by Douglas R. Hartree. Hartree, Douglas R. 1897-1958. United States Atomic Energy Commission, Technical Information Service, 1953., Tennessee, 1953

English [en] · ZIP · 0.1MB · 1953 · 📗 Book (unknown) · 🚀/hathi · Save

base score: 9937.0, final score: 166719.73

nexusstc/Douglas Rayner Hartree: His Life in Science and Computing/165261074b64077168783792676863d2.pdf

Douglas Rayner Hartree: His Life In Science And Computing His Life in Science and Computing Charlotte Froese Fischer; Froese Fischer World Scientific Publishing Co Pte Ltd, World Scientific Publishing Company, Singapore, 2003

This scientific biography of Douglas R Hartree not only describes important events in his life but also outlines his contributions to a number of fields. He is best known for his "self-consistent field" theory for atoms, a theory he later used for the much more difficult problem of predicting the behavior of a magnetron. When Fock pre-empted his work on exchange, he began research into radio-wave propagation. Hartree was very interested in the process of computation. When he learned of a differential analyzer for solving differential equations, he first built a model using Meccano, a toy for children. The success of this model spread the notion of using devices to solve scientific problems. Application of the analyzer led Hartree to control theory and fluid dynamics. In both these areas he made significant, original contributions. With his extensive computing background, he was selected as the first civilian to evaluate the possibility of applying the US ENIAC computer to nonmilitary problems. His research touched the lives of many scientists.

English [en] · PDF · 16.2MB · 2003 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11065.0, final score: 1.6749792

duxiu/initial_release/Hartree,Douglas R.The calculation of atomic structures,1957_40004356.zip

Hartree,Douglas R.The calculation of atomic structures,1957

PDF · 5.2MB · 📗 Book (unknown) · 🚀/duxiu · Save

base score: 11049.0, final score: 0.17505677

duxiu/initial_release/Hartree,Douglas R.The calculation of atomic structures,1957_40004357.zip

Hartree,Douglas R.The calculation of atomic structures,1957

PDF · 6.2MB · 📗 Book (unknown) · 🚀/duxiu · Save

base score: 11049.0, final score: 0.1750489

duxiu/initial_release/40397210.zip

The Calculation of Atomic Structures Douglas R.Hartree John Wiley & Sons,INC., 1957, 1957

1 (p1): 1．INTRODUCTION 1 (p1-1): 1．1．SEVEN STEPS IN THE DEVELOPMENT OF ATOMIC THEORY 2 (p1-2): 1．2．WHY CALCULATE ATOMIC STRUCTURES? 3 (p1-3): 1．3．ATOM AND SOLAR SYSTEM 5 (p1-4): 1．4．ATOMIC UNITS 6 (p1-5): 1．5．SCHRODINGER＇S EQUATION FOR AN ELECTRON 8 (p1-6): 1．6．CENTRAL-FIELD WAVE FUNCTIONS 11 (p1-7): 1．7．ELECTRON SPIN 13 (p1-8): 1．8．MANY-PARTICLE SYSTEMS IN WAVE MECHANICS 16 (p1-8-1): 1．8．1．The necessity for approximation in calculations of atomic structure 17 (p1-9): 1．9．THE SEPARABLE WAVE FUNCTION APPROXIMATION 22 (p2): 2．THE VARIATION PRINCIPLE 22 (p2-1): 2．1．STATIONARY STATES OF A PARTICLE IN ONE DIMENSION 26 (p2-1-1): 2．1．1．E＇ as a Lagrange multiplier 27 (p2-2): 2．2．PARTICLE IN THREE DIMENSIONS 29 (p2-3): 2．3．MANY-PARTICLE SYSTEMS,IN COORDINATE SPACE 30 (p2-4): 2．4．TWO WAYS OF USING THE VARIATION PRINCIPLE TO DERIVE APPROXIMATE WAVE FUNCTIONS 31 (p2-5): 2．5．THE SEPARABLE WAVE FUNCTION APPROXIMATION FOR THE NORMAL STATE OF HELIUM 36 (p2-6): 2．6．THE VARIATION PRINCIPLE FOR EXCITED STATES 37 (p2-7): 2．7．ANALYTIC WAVE FUNCTIONS 39 (p3): 3．CONFIGURATIONS OF COMPLETE GROUPS 39 (p3-1): 3．1．THREE STAGES IN THE CALCULATION OF ATOMIC STRUCTURES 39 (p3-2): 3．2．ALGEBRAICAL PRELIMINARIES TO THE MANIPULATION OF DETERMINANT WAVE FUNCTIONS 42 (p3-3): 3．3．FIRST STAGE;DERIVATION OF THE EXPRESSION FOR E＇ 45 (p3-4): 3．4．USE OF CENTRAL-FIELD WAVE FUNCTIONS 50 (p3-5): 3．5．THE Yk AND Zk FUNCTIONS 52 (p3-6): 3．6．SECOND STAGE:APPLICATION OF THE VARIATION PRINCIPLE 55 (p3-6-1): 3．6．1．Equations for the normal configuration of a ten-electron system 57 (p3-7): 3．7．FOCK＇S EQUATIONS AS INTEGRODIFFERENTIAL EQUATIONS 58 (p3-8): 3．8．THE NONDIAGONAL ε PARAMETERS 59 (p3-9): 3．9．EQUATIONS WITHOUT EXCHANGE 60 (p3-9-1): 3．9．1．Slater＇s simplified form of the equations with exchange 63 (p4): 4．NUMERICAL PROCEDURES 63 (p4-1): 4．1．FINITE DIFFERENCES 64 (p4-2): 4．2．THE MAIN FORMULAE IN FINITE DIFFERENCES 65 (p4-3): 4．3．QUADRATURE 68 (p4-4): 4．4．SECOND-0ORDER DIFFERENTIAL EQUATION WITH FIRST DERIVATIVE ABSENT 71 (p4-5): 4．5．NUMEROV＇S PROCESS FOR A LINEAR SECOND-ORDER EQUATION 72 (p4-6): 4．6．FIRST-ORDER EQUATIONS 73 (p4-7): 4．7．FOX-GOODWIN PROCESS FOR LINEAR FIRST-ORDER EQUATIONS 77 (p5): 5．APPLICATION OF THE NUMERICAL PROCEDURES 77 (p5-1): 5．1．EQUATIONS WITHOUT EXCHANGE 79 (p5-1-1): 5．1．1．Calculation of Y(γ) and contributions to it 80 (p5-2): 5．2．SOLUTION OF THE RADIAL WAVE EQUATION 81 (p5-2-1): 5．2．1．Starting the outward integrations 82 (p5-2-2): 5．2．2．Starting the inward integrations 84 (p5-3): 5．3．VARIATION EQUATIONS 85 (p5-3-1): 5．3．1．Matching the inward and outward equations 87 (p5-3-2): 5．3．2．Normalization 87 (p5-3-3): 5．3．3．Revision of the estimates of contributions to Z(γ) 88 (p5-4): 5．4．TORRANCE＇S METHOD 90 (p5-5): 5．5．EQUATIONS WITH EXCHANGE 91 (p5-6): 5．6．CALCULATION OF THE Yk FUNCTIONS 93 (p5-7): 5．7．RADIAL WAVE EQUATION WITH EXCHANGE 95 (p5-7-1): 5．7．1．Starting the integrations 96 (p5-8): 5．8．REVISION OF THE ESTIMATES OF THE RADIAL WAVE FUNCTIONS 97 (p5-9): 5．9．OTHER FORMS OF THE RADIAL WAVE EQUATION 101 (p6): 6．CONFIGURATIONS COMPRISING INCOMPLETE GROUPS 101 (p6-1): 6．1．RUSSELL-SAUNDERS COUPLING 103 (p6-2): 6．2．(LS) TERMS FROM A GIVEN CONFIGURATION 106 (p6-3): 6．3．DERIVATION OF THE FORMULA FOR E＇ 110 (p6-4): 6．4．STRUCTURE OF THE FORMULA FOR E＇ 111 (p6-5): 6．5．EQUATIONS FOR THE RADIAL WAVE FUNCTIONS 113 (p6-6): 6．6．ONE WAVE FUNCTION IN ADDITION TO COMPLETE GROUPS 113 (p6-7): 6．7．DIFFERENT RADIAL WAVE FUNCTIONS WITHIN A SINGLE GROUP 115 (p7): 7．THE VARIATION OF ATOMIC WAVE FUNCTIONS AND FIELDS WITH ATOMIC NUMBER 115 (p7-1): 7．1．THE NEED FOR A PROCEDURE FOR INTERPOLATION WITH RESPECT TO ATOMIC NUMBER 116 (p7-2): 7．2．PURE SCALING 118 (p7-3): 7．3．LIMITING BEHAVIOR OF THE EQUATIONS AND THEIR SOLUTIONS AS N ？ 119 (p7-4): 7．4．VARIATION OF THE REDUCED WAVE FUNCTION WITH R FOR FIXED s 123 (p7-4-1): 7．4．1．The (1s) wave function 124 (p7-5): 7．5．VARIATION OF THE SCREENING NUMBERS WITH ATOMIC NUMBER 128 (p7-6): 7．6．FURTHER EXAMINATION OF THE BEHAVIOR OF THE RADIAL WAVE FUNCTIONS AS N ？ 132 (p7-7): 7．7．INTERPOLATION OF CONTRIBUTIONS TO Z 134 (p7-8): 7．8．THOMAS-FERMI APPROXIMATION 136 (p8): 8．ENERGY RELATIONS 136 (p8-1): 8．1．THE TOTAL ENERGY AND CONTRIBUTIONS TO IT 137 (p8-2): 8．2．SUBSTITUTION IN THE I INTEGRALS 139 (p8-3): 8．3．ONE INCOMPLETE GROUP 139 (p8-4): 8．4．ENERGY DIFFERENCES BETWEEN THE (LS) TERMS OF A SINGLE INCOMPLETE GROUP 140 (p8-5): 8．5．ONE WAVE FUNCTION IN ADDITION TO COMPLETE GROUPS 145 (p8-6): 8．6．TWO INCOMPLETE GROUPS 146 (p9): 9．RELATIVISTIC EXTENSION 146 (p9-1): 9．1．DIRAC＇S RELATIVISTIC WAVE EQUATION 147 (p9-2): 9．2．FORM OF SOLUTION OF DIRAC＇S EQUATIONS FOR STATIONARY STATES OF AN ELECTRON IN A CENTRAL FIELD 149 (p9-3): 9．3．MANY-ELECTRON ATOM 151 (p9-4): 9．4．SOLUTION OF THE RADIAL WAVE EQUATIONS 153 (p10): 10．BETTER APPROXIMATIONS 153 (p10-1): 10．1．TWO KINDS OF IMPROVEMENTS IN THE APPROXIMATION 155 (p10-2): 10．2．APPROXIMATE WAVE FUNCTIONS INVOLVING γij OR ？ij EXPLICITLY 159 (p10-3): 10．3．SUPERPOSITION OF CONFIGURATIONS 162 (p10-4): 10．4．POLARIZATION 164 (p11): APPENDIX 1．RESULTS OF CALCULATIONS OF ATOMIC STRUCTURES 166 (p12): APPENDIX 2．TABLES OF γ,SCREENING NUMBERS FOR γ,AND REDUCED WAVE FUNCTIONS 174 (p13): APPENDIX 3．ADDENDA 177 (p14): NAME INDEX 179 (p15): SUBJECT INDEX

PDF · 68.8MB · 1957 · 📗 Book (unknown) · 🚀/duxiu/zlibzh · Save

base score: 11058.0, final score: 0.17494099

22 partial matches

lgli/Ch_Chemistry/Fermann J.T. Hartree-Fock Approximate Molecular Orbital Theory (Lecture Notes, 1997)(21s)_Ch_.pdf

Hartree-Fock Approximate Molecular Orbital Theory Fermann J.T. lecture notes, 1997

English [en] · PDF · 0.1MB · 1997 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 10050.0, final score: 30.22549

lgli/Ch_Chemistry/ChCm_Quantum and computational/Hartree D.R. The Calculation of Atomic Structures (Wiley, 1957)(600dpi)(T)(S)(188s)_PM_.djvu

The Calculation of Atomic Structures Hartree D.R. Wiley, 1957

English [en] · DJVU · 6.2MB · 1957 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11052.0, final score: 28.859398

lgli/dvd58/Hartree D.R. - The calculation of atomic structures(1957)(181).djvu

The calculation of atomic structures Hartree D.R. John Wiley and Sons, 1957

English [en] · DJVU · 13.0MB · 1957 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11052.0, final score: 28.31486

lgli/dvd61/Macri M., Nolasco M. - Stationary solutions for the non-linear Hartree equation with a slowly varying potential(27).pdf

Stationary solutions for the non-linear Hartree equation with a slowly varying potential Macri M., Nolasco M.

English [en] · PDF · 0.3MB · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11048.0, final score: 28.135504

nexusstc/Post-Hartree–Fock methods/d6e82927f0e3abbaf37df8f8f2a58b0f.pdf

Post-Hartree–Fock methods Valerio Magnasco Elsevier, Elementary Molecular Quantum Mechanics, 2013

Dutch [nl] · PDF · 0.8MB · 2013 · 🤨 Other · nexusstc/scihub · Save

base score: 10974.0, final score: 27.120382

lgli/Ch_Chemistry/ChCm_Quantum and computational/Fischer C.F. The Hartree-Fock method for atoms (Wiley, 1977)(ISBN 047125990X)(600dpi)(T)(318s)_PQm_.djvu

The Hartree-Fock method for atoms : a numerical approach Fischer C.F. John Wiley & Sons, Incorporated, New York, New York State, 1977

Charlotte Froese Fischer. A Wiley-interscience Publication. Includes Bibliographical References And Index.

English [en] · DJVU · 2.6MB · 1977 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11055.0, final score: 26.856625

lgli/P_Physics/Pln_Lecture notes/Goeke K., Reinhard P.-G. (eds.) Time-Dependent Hartree-Fock and Beyond (LNP0171, Springer, 1982)(ISBN 9783540119500)(T)(O)(433s).djvu

Time Dependent Hartree-Fock and Beyond: Proceedings of the International Symposium Held in Bad Honnef, Germany, June 7–11,1982 (Lecture Notes in Physics, 171) K Goeke; P.-G Reinhard; Kernforschungsanlage Jülich Institut für Kernphysik; Johannes Gutenberg-Universität. Institut für Kernphysik; International Symposium on "Time Dependent Hartree-Fock and Beyond" Springer Berlin Heidelberg, LNP0171, 1982

Lecture Notes in Physics Erscheinungsdatum: 01.11.1982

English [en] · DJVU · 2.8MB · 1982 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11055.0, final score: 26.062317

lgli/Exploration of (Super-)Heavy Elements using the Skyrme-Hartree-Fock model__1591_JochenErlerDissertation.pdf__4d6f4205.pdf

Exploration of (Super-)Heavy Elements using the Skyrme-Hartree-Fock model Jochen Erler FAU Erlangen-Nürnberg

PDF · 2.0MB · 📘 Book (non-fiction) · lgli · Save

base score: 11048.0, final score: 26.061213

lgli/A:\compressed\10.1007%2F3-540-31297-8.pdf

Hartree-Fock-Slater method for materials science the DV-Xα [DV-X alpha] method for design and characterization of materials ; with 33 tables Hirohiko Adachi (auth.), Professor Hirohiko Adachi, Professor Takeshi Mukoyama, Professor Dr. Jun Kawai (eds.) Springer; Springer-Verlag Berlin Heidelberg, Springer Series in Materials Science, Springer Series in Materials Science 84, 1, 2006

Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.

English [en] · PDF · 7.4MB · 2006 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/scihub/zlib · Save

base score: 11065.0, final score: 25.537199

lgli/D:\!genesis\library.nu\c4\_149242.c4d2f8470e944abb3610b1ab869a0a5f.pdf

Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials (Springer Series in Materials Science Book 84) Hirohiko Adachi; Takeshi Mukoyama; Jun Kawai Springer Berlin Heidelberg : Imprint: Springer, 1 edition, December 22, 2005

Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.

English [en] · PDF · 5.9MB · 2005 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/scihub/zlib · Save

base score: 11065.0, final score: 25.537199

nexusstc/Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials/eb54ad93123a2fbc8d0819ad986898ce.rar

Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials (Springer Series in Materials Science, 84) Hirohiko Adachi, Takeshi Mukoyama, Jun Kawai Springer Berlin, Springer Series in Materials Science, 1st Edition., 2009

English [en] · RAR · 6.8MB · 2009 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11050.0, final score: 25.479576

lgli/Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–F__2562_hesselmann_efficient_3743.pdf__8fe620d7.pdf

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock Andreas Heßelmann, Andreas Görling American Institute of Physics, 2011

PDF · 0.5MB · 2011 · 📘 Book (non-fiction) · lgli · Save

base score: 11040.0, final score: 25.399435

nexusstc/The Hartree-Fock Method for Atoms: A Numerical Approach/54dc6d20ce7cc72f6900fb11c1102059.djvu

The Hartree-Fock method for atoms : a numerical approach Charlotte Froese Fischer John Wiley & Sons, Incorporated, New York, New York State, 1977

Charlotte Froese Fischer. A Wiley-interscience Publication. Includes Bibliographical References And Index.

English [en] · DJVU · 9.4MB · 1977 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11055.0, final score: 25.193502

upload/duxiu_main/v/djvu/06011571_杭州大学硕士学位论文球形核Skyrme力的Hartree-Fock计算_杭州大学.djvu

06011571_杭州大学硕士学位论文球形核Skyrme力的Hartree-Fock计算_杭州大学.djvu

DJVU · 2.9MB · 📗 Book (unknown) · 🚀/upload · Save

base score: 10929.0, final score: 25.122536

nexusstc/Self-Consistent Fields in Atoms. Hartree and Thomas–Fermi Atoms/2d88b6bce99af2b8d20124b3d2364d65.pdf

Self-Consistent Fields in Atoms. Hartree and Thomas–Fermi Atoms March, Norman Henry Pergamon Press, 1975

English [en] · PDF · 15.2MB · 1975 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11062.0, final score: 24.760527

upload/duxiu_main/v/djvu/03027191_相对论Hartree-Fock方法中剩余介子的作用_吕品吉林大学.djvu

03027191_相对论Hartree-Fock方法中剩余介子的作用_吕品吉林大学.djvu

DJVU · 0.4MB · 📗 Book (unknown) · 🚀/upload · Save

base score: 10919.0, final score: 24.699041

upload/duxiu_main/v/djvu/03030126_基态Li原子的Hartree-Fock有限无方法计算_石爱民吉林大学.djvu

03030126_基态Li原子的Hartree-Fock有限无方法计算_石爱民吉林大学.djvu

DJVU · 0.2MB · 📗 Book (unknown) · 🚀/upload · Save

base score: 9919.0, final score: 24.203087

nexusstc/Many-Electron Wavefunctions: Slater, Hartree–Fock and Related Methods/fd114b443bc56f77e9b527f0e9522890.pdf

Many-Electron Wavefunctions: Slater, Hartree–Fock and Related Methods Valerio Magnasco Elsevier, Elementary Methods of Molecular Quantum Mechanics, 2007

English [en] · PDF · 0.9MB · 2007 · 🤨 Other · nexusstc/scihub · Save

base score: 10979.0, final score: 23.97464

nexusstc/The mechanics of the atom/a662810f21d602adf1fce03dc1d39273.djvu

The mechanics of the atom by Max Born ; translated by J.W. Fisher and revised by D.R. Hartree. G. Bell and Sons, International text-books of exact science., 1927.

English [en] · DJVU · 2.9MB · 1927 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11052.0, final score: 23.740255

nexusstc/Spin-constrained Hartree–Fock and the generator coordinate method for the 2-site Hubbard model/1619829308b98df83b3da544a48b8746.pdf

Spin-constrained Hartree–Fock and the generator coordinate method for the 2-site Hubbard model Stijn De Baerdemacker; Amir Ayati; Hugh G.A. Burton; Xeno De Vriendt; Patrick Bultinck; Guillaume Acke Elsevier, Advances in Quantum Chemistry, 2023

PDF · 0.5MB · 2023 · 🤨 Other · nexusstc · Save

base score: 10867.0, final score: 23.494772

lgli/A:\compressed\10.1007%2F978-3-662-13017-9.pdf

Spezielle Näherungsformeln der Appleton-Hartree-Gleichungen zur Interpretation der Absorption einer Mittelwellenausbreitung im Nächtlichen E-Gebiet der Ionosphäre Wilhelm Elling (auth.) Springer Berlin Heidelberg : Imprint : Springer, Mitteilungen aus dem Max-Planck-Institut für Aeronomie 36, 1, 1968

Front Matter....Pages N2-3 Einleitung....Pages 5-5 Nomenklatur....Pages 6-6 Die Ausbreitung ebener Wellen in einem homogenen, anisotropen und schwach ionisierten Gas....Pages 7-8 Die Absorption der Wellen im Plasma....Pages 9-9 Zur Berechnung der Funktion F(X, Z) für eine Mittelwellenausbreitung in 88 bis 100 km Höhe....Pages 10-10 Typische F(X)—Diagramme....Pages 10-11 Skizzierung des Verfahrens zur Berechnung von Elektronendichte- und Stoßzahlwerten....Pages 12-13 Charakteristische Daten zu Mittelwellenexperimenten in Tsumeb....Pages 13-22 Zusammenfassung....Pages 23-23 Literaturverzeichnis....Pages 24-24 Back Matter....Pages 25-28

German [de] · PDF · 0.6MB · 1968 · 📘 Book (non-fiction) · 🚀/lgli/lgrs/nexusstc/zlib · Save

base score: 11050.0, final score: 23.39704

Hartree-Fock Approximate Molecular Orbital Theory Fermann J.T. 1997

English [en] · PDF · 0.1MB · 1997 · 📗 Book (unknown) · zlib · Save

base score: 10042.0, final score: 23.33452

Previous 1 Next