Hartree

Results: 165



#Item
51Computational chemistry / Quantum chemistry / Atomic physics / Density functional theory / Hybrid functional / Hartree–Fock method / Basis set / Ab initio quantum chemistry methods / Electronic correlation / Chemistry / Physics / Theoretical chemistry

JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBEROCTOBER 2004

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:06
52Physics / Hartree / Stefan–Boltzmann constant / Gas constant / Bohr magneton / Planck constant / Atomic mass constant / Avogadro constant / Conversion of units / Physical constants / Measurement / Chemistry

PZ00771 IUPAC PTFlap2006 R1.indd

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Source URL: old.iupac.org

Language: English - Date: 2006-05-25 15:17:06
53Theoretical chemistry / PQS / Z-matrix / Gaussian / Basis set / Hartree–Fock method / Standard streams / Tee / Chemistry / Computational chemistry / Quantum chemistry

PQS Ab Initio Program Package version 4.0 USER’S GUIDE © Parallel Quantum Solutions 2011

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Source URL: www.pqs-chem.com

Language: English - Date: 2011-03-28 16:23:31
54Quantum mechanics / Quantum chemistry / Rotational symmetry / Atoms / Atomic orbital / Hydrogen atom / Hartree–Fock method / Hydrogen-like atom / Electron / Physics / Chemistry / Atomic physics

PRACTICAL ATOMIC STRUCTURE AND COLLISION THEORY Yong-Ki Kim Quantum Optics Laboratory Korea Atomic Energy Research Institute, Taejon, Korea and

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Source URL: amods.kaeri.re.kr

Language: English - Date: 2002-11-22 20:35:32
55Computational physics / Quantum chemistry / Theoretical chemistry / Density functional theory / Time-dependent density functional theory / Hartree–Fock method / Matrix / Chemistry / Physics / Computational chemistry

PDF Document

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Source URL: yangtze.hku.hk

Language: English - Date: 2011-09-01 06:04:46
56Theoretical chemistry / Computational chemistry / Computational physics / Atomic physics / Time-dependent density functional theory / Hartree–Fock method / Density functional theory / Molecular dynamics / Matrix / Chemistry / Physics / Quantum chemistry

THE JOURNAL OF CHEMICAL PHYSICS 135, Time-dependent density functional theory based Ehrenfest dynamics Fan Wang,1,2 Chi Yung Yam,2 LiHong Hu,2,3 and GuanHua Chen2,a) 1

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Source URL: yangtze.hku.hk

Language: English - Date: 2011-11-17 00:30:44
57History of computing hardware / Herman Goldstine / J. Presper Eckert / ENIAC / John Mauchly / Moore School of Electrical Engineering / Differential analyser / Kathleen Antonelli / Douglas Hartree / Computing / Computer hardware / University of Pennsylvania

WAR DEPARTMENT Bureau of Public Relations PRESS BRANCH Tel. - RE 6700 Brsand 4860 F U T U R E

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Source URL: americanhistory.si.edu

Language: English - Date: 2000-02-22 14:30:32
58Computational chemistry / Atomic physics / Hartree–Fock method / Multi-configurational self-consistent field / Gaussian / Basis set / Density functional theory / Chemical bond / Hybrid functional / Chemistry / Theoretical chemistry / Quantum chemistry

Isolated metal molecules for hydrogen storage: predicted MH12 species

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Source URL: www.iphe.net

Language: English - Date: 2011-02-16 17:21:59
59Atomic physics / Computational chemistry / Theoretical chemistry / Quantum mechanics / Hartree–Fock method / Fock matrix / Electronic correlation / Quantum dissipation / Atomic orbital / Physics / Chemistry / Quantum chemistry

Chemical Physics Letters[removed]–503 www.elsevier.com/locate/cplett A dynamic mean-field theory for dissipative interacting many-electron systems Satoshi Yokojima a, GuanHua Chen

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:08
60Computational chemistry / Theoretical chemistry / Quantum chemistry / Matrix theory / Matrices / Matrix / Hartree–Fock method / Diagonalizable matrix / Density functional theory / Algebra / Chemistry / Linear algebra

View Online / Journal Homepage / Table of Contents for this issue Chem Soc Rev Dynamic Article Links

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Source URL: yangtze.hku.hk

Language: English - Date: 2012-07-06 06:51:09
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