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Volumn 86, Issue 6, 2002, Pages 511-517
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Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation: Ab initio NO+MO/HF theory
a
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Author keywords
Ab initio NO+MO HF theory; Non Born Oppenheimer theory; Nuclear basis function; Translation free Hamiltonian; VB type expansion
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Indexed keywords
APPROXIMATION THEORY;
CALCULATIONS;
CHEMICAL BONDS;
ELECTRON ENERGY LEVELS;
HAMILTONIANS;
ISOTOPES;
MOLECULES;
NUMERICAL METHODS;
QUANTUM THEORY;
BORN-OPPENHEIMER APPROXIMATION;
ELECTRONIC WAVE FUNCTIONS;
MOLECULAR ORBITAL;
NUCLEAR BASIS FUNCTION;
NUCLEAR WAVE FUNCTIONS;
TRANSLATION-FREE HAMILTONIAN;
VALENCE BOND;
VALENCE BOND TYPE EXPANSION;
WAVE EQUATIONS;
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EID: 0037138604
PISSN: 00207608
EISSN: None
Source Type: Journal
DOI: 10.1002/qua.1106 Document Type: Article |
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Times cited : (123)
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References (23)
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