On occupied-orbital dependent exchange-correlation functionals: From local hybrids to becke's B05 model

Zeitschrift fur Physikalische Chemie

Volumn 224, Issue 3-4, 2010, Pages 545-567

  Kaupp, Martin ^a   Arbuznikov, Alexei ^a   Bahmann, Hilke ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Local hybrid functional; Localized local hybrid potentials; Nondynamical correlation model; Occupied orbital dependent Functional; Optimized effective potential

Indexed keywords

COMPUTATION THEORY; MAGNETIC RESONANCE;

EFFICIENT IMPLEMENTATION; EXCHANGE-CORRELATION FUNCTIONALS; FUNCTIONAL DERIVATIVES; HYBRID FUNCTIONAL; NONDYNAMICAL CORRELATION; OCCUPIED-ORBITAL-DEPENDENT FUNCTIONAL; OPTIMIZED EFFECTIVE POTENTIAL; SEMI-EMPIRICAL PARAMETERS;

DENSITY FUNCTIONAL THEORY;

EID: 77952717090     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2010.6123     Document Type: Article

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