Simple and accurate method to evaluate tunneling splitting in polyatomic molecules

Journal of Chemical Physics

Volumn 120, Issue 11, 2004, Pages 5036-5045

  Mil'nikov, Gennady V ^a   Yagi, Kiyoshi ^b   Taketsugu, Tetsuya ^c   Nakamura, Hiroki ^a   Hirao, Kimihiko ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DIFFERENTIAL EQUATIONS; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; EXTRAPOLATION; GROUND STATE; HAMILTONIANS; INTEGRAL EQUATIONS; MATRIX ALGEBRA; POTENTIAL ENERGY; QUANTUM THEORY; RATE CONSTANTS; VARIATIONAL TECHNIQUES;

POTENTIAL ENERGY FUNCTIONS (PEF); POTENTIAL ENERGY SURFACES (PES);

MOLECULAR DYNAMICS;

EID: 1842732474     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1647052     Document Type: Article

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