Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations

Journal of Chemical Physics

Volumn 137, Issue 9, 2012, Pages

  Sinha, Debalina ^a   Maitra, Rahul ^a   Mukherjee, Debashis ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE ORBITALS; ACTIVE SPACES; CLUSTER OPERATOR; COUPLED CLUSTERS; COUPLED-CLUSTER THEORY; DOUBLE EXCITATIONS; EXPONENTIAL PARAMETRIZATION; MATRIX ELEMENTS; MODEL FUNCTIONS; MULTI REFERENCE; NUMBER OF CLUSTERS; NUMERICAL IMPLEMENTATION; ORBITALS; SINGLE EXCITATION; UNITARY GROUP; VIRTUAL FUNCTIONS; WORKING EQUATIONS;

NUMERICAL METHODS;

GROUP THEORY;

EID: 84866119373     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4747702     Document Type: Article

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