A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 4043-4049

  Angeli, Celestino ^a   Borini, Stefane ^a   Cestari, Mirko ^a   Cimiraglia, Renzo ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; FUNCTIONS; HAMILTONIANS; MATHEMATICAL MODELS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; PROBLEM SOLVING;

COMPLETE ACTIVE SPACE (CAS); ETHENES; N-ELECTRON VALENCE STATE PERTURBATION THEORY (NEVPT); QUASIDEGENERATE APPROACH (QD);

PERTURBATION TECHNIQUES;

EID: 4644262862     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1778711     Document Type: Article

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