A regionally contracted multireference configuration interaction method: General theory and results of an incremental version

Journal of Chemical Physics

Volumn 134, Issue 5, 2011, Pages

  Hoyau, Sophie ^a   Maynau, Daniel ^a   Malrieu, Jean Paul ^a  

^a European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE ACTIVE SPACE; CONFIGURATION INTERACTIONS; CONTRACTED FUNCTIONS; DYNAMICAL CORRELATIONS; GENERAL THEORY; LOCALIZABILITY; LONE PAIR; MATRIX; MULTI STATE; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; NUMERICAL STUDIES; SIZE-CONSISTENCY;

MOLECULAR ORBITALS;

CHEMICAL BONDS;

EID: 79951528365     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3533777     Document Type: Article

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