Long-range and short-range Coulomb correlation effects as simulated by Hartree-Fock, local density approximation, and generalized gradient approximation exchange functionals

Theoretical Chemistry Accounts

Volumn 109, Issue 1, 2003, Pages 22-35

  Polo, Victor ^a   Gräfenstein, Jürgen ^a   Kraka, Elfi ^a   Cremer, Dieter ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

Dynamic electron correlation; GGA exchange hole; LDA exchange hole; Self interaction error

Indexed keywords

ACCURACY; ANALYTICAL PARAMETERS; ARTICLE; CHEMICAL BOND; CHEMICAL PARAMETERS; CORRELATION ANALYSIS; DENSITY; DYNAMICS; ELECTRON; ERROR; SIMULATION;

EID: 0037292470     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0398-y     Document Type: Article

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