Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation

Journal of Chemical Physics

Volumn 140, Issue 5, 2014, Pages

  Klimeš, Jiří ^a   Kresse, Georg ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION ALGORITHMS; ENERGY GAP;

DERIVATIVE DISCONTINUITY; EFFECTIVE POTENTIAL METHODS; EFFECTIVE POTENTIALS; ENERGY FUNCTIONALS; EXPERIMENTAL VALUES; KOHN-SHAM POTENTIAL; QUASI PARTICLES; RANDOM PHASE APPROXIMATIONS;

LOCAL DENSITY APPROXIMATION;

EID: 84905594544     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4863502     Document Type: Article

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