Fractional spins and static correlation error in density functional theory

Journal of Chemical Physics

Volumn 129, Issue 12, 2008, Pages

  Cohen, Aron J ^a   Mori Sánchez, Paula ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; MATRIX ALGEBRA; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SPIN DYNAMICS;

) ELECTRONIC STATE; BOND DISSOCIATION; CHEMICAL-; DENSITY-MATRIX FUNCTIONAL THEORY; FUNCTIONAL CONSTRUCTIONS; FUNCTIONALS; MOLECULAR SYSTEMS; MOTT INSULATORS; NUMERICAL CALCULATIONS; SPIN STATES; STATIC CORRELATION; STRONGLY CORRELATED SYSTEMS;

DENSITY FUNCTIONAL THEORY;

EID: 52949150371     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2987202     Document Type: Article

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