Optimized coordinates in vibrational coupled cluster calculations

Journal of Chemical Physics

Volumn 140, Issue 15, 2014, Pages

  Thomsen, Bo ^a   Yagi, Kiyoshi ^b   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; NUMERICAL METHODS;

APPROXIMATE CALCULATIONS; GROUND-STATE ENERGIES; ORTHOGONAL TRANSFORMATIONS; SELF-CONSISTENT FIELD; VARIATIONAL OPTIMIZATION; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL COUPLED CLUSTERS; VIBRATIONAL ENERGY LEVELS;

OPTIMIZATION;

EID: 84899812541     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4870775     Document Type: Article

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