Efficient configuration selection scheme for vibrational second-order perturbation theory

Journal of Chemical Physics

Volumn 127, Issue 3, 2007, Pages

  Yagi, Kiyoshi ^a,b   Hirata, So ^c   Hirao, Kimihiko ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HIGHER-ORDER ANHARMONICITIES; VIBRATIONAL SELF-CONSISTENT-FIELD (VSCF);

APPROXIMATION ALGORITHMS; ERROR ANALYSIS; FORMALDEHYDE; HARMONIC ANALYSIS; PARTIAL DIFFERENTIAL EQUATIONS; WAVE FUNCTIONS;

PERTURBATION TECHNIQUES;

EID: 34547195191     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2748774     Document Type: Article

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