A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory

Journal of Chemical Physics

Volumn 120, Issue 14, 2004, Pages 6381-6398

  Shamasundar, K R ^a   Asokan, Subashini ^a   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONS; ENERGY ABSORPTION; HAMILTONIANS; LINEAR EQUATIONS; MATHEMATICAL MODELS; SPECTRUM ANALYSIS;

COUPLED-CLUSTER (CC) BASED METHODS; IONIZATION POTENTIAL; MULTIREFERENCE COUPLED-CLUSTER (MRCC) METHODS; SINGLE-REFERENCE COUPLED-CLUSTER (SRCC) METHOD;

CONSTRAINT THEORY;

EID: 2342488870     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1652436     Document Type: Article

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