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International Journal of Quantum Chemistry

Volumn 107, Issue 14, 2007, Pages 2849-2869

Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation

(1) Nakai, Hiromi a

a WASEDA UNIVERSITY (Japan)

Author keywords

Non Born Oppenheimer theory; Nuclear orbital plus molecular orbital theory; Vibrational state

Indexed keywords

APPROXIMATION THEORY; COMPUTATION THEORY; CONTAMINATION; NUMERICAL METHODS; WAVE FUNCTIONS;

NON-BORN-OPPENHEIMER THEORY; NUCLEAR ORBITAL PLUS MOLECULAR ORBITAL THEORY; VIBRATIONAL STATE;

MOLECULAR DYNAMICS;

EID: 35248814836 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.21379 Document Type: Article

Times cited : (99)

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