Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory

Journal of Chemical Physics

Volumn 133, Issue 13, 2010, Pages

  Tsuchimochi, Takashi ^a   Henderson, Thomas M ^a   Scuseria, Gustavo E ^a   Savin, Andreas ^b  

^a RICE UNIVERSITY   (United States)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

HARTREE-FOCK; INDEPENDENT PARTICLE MODELS; OPEN-SHELL; ORBITAL ENERGY; ORBITALS; POLYATOMIC MOLECULES; TYPE METHODS; UNRESTRICTED HARTREE-FOCK;

MEAN FIELD THEORY; MOLECULAR PHYSICS;

CONSTRAINT THEORY;

EID: 77958105894     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3490478     Document Type: Article

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