Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications

Journal of Chemical Physics

Volumn 137, Issue 2, 2012, Pages

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

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER EXPANSION; CLUSTER OPERATOR; COUPLED CLUSTERS; COUPLED-CLUSTER THEORY; EXPONENTIAL PARAMETRIZATION; EXPONENTIALS; FULL CONFIGURATION INTERACTION; MULTI REFERENCE; NUMERICAL APPLICATIONS; NUMERICAL RESULTS; SPIN-ORBITALS; UNITARY GROUP; WORKING EQUATIONS;

NUMERICAL METHODS;

GROUP THEORY;

EID: 84863922709     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4731341     Document Type: Article

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