Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functions

Journal of Chemical Physics

Volumn 135, Issue 4, 2011, Pages

  Roskop, Luke ^a   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; CAS-SCF; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; COMPUTATIONAL SCHEMES; MULTI REFERENCE; PERTURBATION METHOD; REFERENCE ENERGY; REFERENCE FUNCTIONS; SECOND ORDER PERTURBATION THEORY; SECOND ORDERS; SELF-CONSISTENT FIELD;

CURRENT VOLTAGE CHARACTERISTICS;

PERTURBATION TECHNIQUES;

EID: 79961039540     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3609756     Document Type: Article

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