A semiempirical generalized gradient approximation exchange-correlation functional

Journal of Chemical Physics

Volumn 121, Issue 12, 2004, Pages 5654-5660

  Keal, Thomas W ^a   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIZATION; COMPUTATIONAL COMPLEXITY; IONIZATION; KINETIC ENERGY; LIGHT POLARIZATION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION;

ELECTRON AFFINITIES; GGA FUNCTIONALS; KT3; PROTON AFFINITIES; TRANSITION METAL COMPLEXES;

PROBABILITY DENSITY FUNCTION;

EID: 5444262434     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1784777     Document Type: Article

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