Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: Excited and ionized state energies

Journal of Chemical Physics

Volumn 137, Issue 7, 2012, Pages

  Sen, Sangita ^a   Shee, Avijit ^a   Mukherjee, Debashis ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; CLUSTER EXPANSION; CLUSTER OPERATOR; COUPLED CLUSTERS; EQUATION OF MOTION COUPLED CLUSTERS; FULL CONFIGURATION INTERACTION; HARTREE-FOCK; INDEPENDENT CLUSTERS; IONIZED STATE; MODEL FUNCTIONS; MULTI REFERENCE; OPEN-SHELL; SPIN-ORBITALS; UNITARY GROUP; VIRTUAL EXCITATIONS; VIRTUAL FUNCTIONS; WAVE OPERATORS; WORKING EQUATIONS;

CLUSTER ANALYSIS; EQUATIONS OF MOTION; EXCITED STATES; NUMERICAL METHODS; SHELLS (STRUCTURES);

GROUP THEORY;

EID: 84865478838     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4742058     Document Type: Article

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