An average-of-configuration method for using Kohn-Sham density functional theory in modeling ligand-field theory

Inorganic Chemistry

Volumn 42, Issue 13, 2003, Pages 4088-4097

  Anthon, Christian ^a   Bendix, Jesper ^a   Schäffer, Claus E ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

HALIDE; LIGAND; VANADIUM DERIVATIVE;

ARTICLE; ENERGY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; THEORY;

EID: 0038198789     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0262233     Document Type: Article

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