Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats

Journal of Chemical Physics

Volumn 138, Issue 20, 2013, Pages

  Karolewski, Andreas ^a   Kronik, Leeor ^b   Kümmel, Stephan ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; FORECASTING; ITERATIVE METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SEPARATION; TUNING;

DIATOMIC MOLECULES; ELECTRON VOLT; ELECTRONIC EXCITATION; GROUND STATE PROPERTIES; HYBRID FUNCTIONALS; SEPARATION PARAMETERS; SIZE-CONSISTENCY; SIZE-CONSISTENCY ERRORS;

GROUND STATE;

EID: 84879337642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807325     Document Type: Article

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