Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solids

Journal of Chemical Physics

Volumn 127, Issue 5, 2007, Pages

  Gerber, Iann C ^a,d   Ángyán, János G ^a   Marsman, Martijn ^b   Kresse, Georg ^c  

^a Nancy University CNRS   (France)

^b UNIVERSITY OF VIENNA   (Austria)

^c CENTER FOR COMPUTATIONAL MATERIALS SCIENCE   (Austria)

^d AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; ENERGY GAP; LATTICE CONSTANTS; MAGNETIC MOMENTS; SOLID STATE DEVICES; TRANSITION METALS;

RANGE SEPARATION PARAMETER; RSHX FUNCTIONALS; STRUCTURAL PARAMETERS; TRANSITION METAL OXIDES;

DENSITY FUNCTIONAL THEORY;

EID: 34547672934     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2759209     Document Type: Article

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