Effect of the Perdew-Zunger self-interaction correction on the thermochemical performance of approximate density functionals

Journal of Chemical Physics

Volumn 121, Issue 17, 2004, Pages 8187-8193

  Vydrov, Oleg A ^a   Scuseria, Gustave E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

KOHN-SHAM ENERGY; KOHN-SHAM ORBITALS; ONE-ELECTRON SYSTEMS; SPIN DENSITIES;

APPROXIMATION THEORY; ELECTROSTATICS; ERROR ANALYSIS; FUNCTIONS; KINETIC ENERGY; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

CARRIER CONCENTRATION;

EID: 9744225109     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1794633     Document Type: Article

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