Why does the B3LYP hybrid functional fail for metals?

Journal of Chemical Physics

Volumn 127, Issue 2, 2007, Pages

  Paier, Joachim ^a   Marsman, Martijn ^a   Kresse, Georg ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRON GAS; LATTICE CONSTANTS;

ATOMIZATION ENERGIES; B3LYP HYBRID FUNCTIONAL; MOLECULAR PROPERTIES; SEMIEMPIRICAL CONSTRUCTION;

METALS;

EID: 34547187613     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2747249     Document Type: Article

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