Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship

Journal of Chemical Physics

Volumn 128, Issue 14, 2008, Pages

  Li, Xiangzhu ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; LINEAR EQUATIONS; LINEARIZATION; CHEMICAL BONDS; COMPUTATION THEORY; MATHEMATICAL MODELS; NITROGEN COMPOUNDS; PROBLEM SOLVING;

COUPLED CLUSTER METHODS; MUTUAL RELATIONSHIPS; REDUCED MULTIREFERENCE (RMR); AB INITIO MODELS; FULL CONFIGURATION INTERACTION (FCI); SINGLE REFERENCE CCSD;

MOLECULAR DYNAMICS; MOLECULAR INTERACTIONS;

EID: 42149167245     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2868758     Document Type: Article

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