A state-specific partially internally contracted multireference coupled cluster approach

Journal of Chemical Physics

Volumn 134, Issue 21, 2011, Pages

  Datta, Dipayan ^a   Kong, Liguo ^b   Nooijen, Marcel ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE ELECTRONS; ARBITRARY NUMBER; BOND-STRETCHING; CLUSTER OPERATOR; COMPLETE ACTIVE SPACE; COUPLED-CLUSTER APPROACH; DIAGONALIZATIONS; DYNAMICAL CORRELATIONS; EXPONENTIAL PARAMETRIZATION; LOW LYING ELECTRONIC STATE; MANY-BODY; MATRIX ELEMENTS; MULTI REFERENCE; MULTI REFERENCE CONFIGURATION INTERACTIONS; MULTIDETERMINANTAL; REFERENCE FUNCTIONS; RELAXATION EFFECT; RESIDUAL EQUATIONS;

ELECTRONIC STATES; NUMERICAL METHODS; QUANTUM CHEMISTRY;

MATHEMATICAL OPERATORS;

EID: 79958806481     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3592494     Document Type: Article

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