Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions

Journal of Computational Chemistry

Volumn 23, Issue 12, 2002, Pages 1166-1175

  Nakano, Haruyuki ^a   Uchiyama, Ryuma ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

General reference space; MC QDPT; MC SCF; Multireference perturbation theory; Quasi degenerate perturbation theory

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; FUNCTIONS; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; WATER;

COMPLETE ACTIVE SPACE; EXCITATION ENERGIES; GENERAL MULTICONFIGURATION; QUASI DEGENERATE PERTURBATION THEORY; SELF-CONSISTENT FIELD REFERENCE FUNCTIONS;

MOLECULAR PHYSICS;

EID: 0036722786     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10050     Document Type: Article

References (32)