Self-interaction error in density functional theory: A mean-field correction for molecules and large systems

Chemical Physics

Volumn 309, Issue 1 SPEC.ISS., 2005, Pages 67-76

  Ciofini, Ilaria ^a   Adamo, Carlo ^a   Chermette, Henry ^b  

^a PSL RESEARCH UNIVERSITY   (France)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL INTERACTION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY TRANSFER; ERROR; IONIZATION; MOLECULAR DYNAMICS; REVIEW;

EID: 9644284505     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.05.034     Document Type: Article

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