Dispersion, static correlation, and delocalisation errors in density functional theory: An electrostatic theorem perspective

Journal of Chemical Physics

Volumn 135, Issue 16, 2011, Pages

  Dwyer, Austin D ^a   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION ERRORS; DELOCALISATION; DIATOMIC MOLECULES; DISPERSION FORCE; KOHN SHAM EQUATIONS; POTENTIAL ENERGY CURVES;

DISPERSIONS; ELECTROSTATICS; ERRORS; POTENTIAL ENERGY;

DENSITY FUNCTIONAL THEORY;

EID: 80555154177     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3653980     Document Type: Article

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