Density-functional theory calculations with correct long-range potentials

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 2978-2990

  Wu, Qin ^a   Ayers, Paul W ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; ELECTRON ENERGY LEVELS; FLUORINE; INTEGRAL EQUATIONS; IONIZATION; MOLECULES; MONTE CARLO METHODS; NEGATIVE IONS; NEON; PARTIAL DIFFERENTIAL EQUATIONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY CALCULATION; EXCHANGE-CORRELATION POTENTIAL; KOHN-SHAM DENSITY FUNCTIONAL THEORY; MOLECULAR ANIONS; MOLECULAR ORBITAL ENERGY;

MOLECULAR PHYSICS;

EID: 0041378197     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1590631     Document Type: Article

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