Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors

Journal of Chemical Physics

Volumn 136, Issue 13, 2012, Pages

  Peverati, Roberto ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY SEMICONDUCTORS; COMPARATIVE ASSESSMENT; DENSITY FUNCTIONALS; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL DENSITY; LOCAL SPIN DENSITY APPROXIMATION; MEAN ERRORS; NONLOCAL DENSITIES;

LATTICE CONSTANTS;

ENERGY GAP;

EID: 84861666492     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3698285     Document Type: Article

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