Deviations from piecewise linearity in the solid-state limit with approximate density functionals

Journal of Chemical Physics

Volumn 142, Issue 3, 2015, Pages

  Vlček, Vojtěch ^a,b   Eisenberg, Helen R ^b   Steinle Neumann, Gerd ^a   Kronik, Leeor ^c   Baer, Roi ^b  

^a UNIVERSITÄT BAYREUTH   (Germany)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^c WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTATION THEORY; ELECTRONIC STRUCTURE; GROUND STATE;

COMPUTATIONAL STUDIES; DENSITY FUNCTIONALS; FUNCTIONAL CONSTRUCTIONS; GROUND-STATE ENERGIES; PERIODIC BOUNDARY CONDITIONS; PIECEWISE LINEARITIES; PREDICTIVE CAPABILITIES; SEMICONDUCTOR NANOCRYSTALS;

DENSITY FUNCTIONAL THEORY;

EID: 84923780599     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4905236     Document Type: Article

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