The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry

Journal of Chemical Physics

Volumn 124, Issue 4, 2006, Pages

  Furche, Filipp ^a   Perdew, John P ^b  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ENERGETICS; DIPOLE MOMENTS; HYBRID DENSITY FUNCTIONALS;

APPROXIMATION THEORY; DIMERS; ELECTRONS; HYDRIDES; NITRIDES; PROBABILITY DENSITY FUNCTION;

TRANSITION METALS;

EID: 31544458461     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2162161     Document Type: Article

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