Direct vibrational self-consistent field method: applications to H2O and H2CO

Journal of Chemical Physics

Volumn 113, Issue 3, 2000, Pages 1005-1017

  Yagi, Kiyoshi ^a   Taketsugu, Tetsuya ^b   Hirao, Kimihiko ^a   Gordon, Mark S ^c  

^a UNIVERSITY OF TOKYO   (Japan)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; FERMI SURFACE; INTERPOLATION; NUMERICAL ANALYSIS; OXIDES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

MODIFIED SHEPARD INTERPOLATION METHOD; VIBRATIONAL SELF CONSISTENT FIELD METHOD; VIRTUAL CONFIGURATION INTERACTION METHOD;

MOLECULAR VIBRATIONS;

EID: 0034226116     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481881     Document Type: Article

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