Investigation of the use of density functional in second- and third-row transition metal dimer calculations

Journal of Computational Chemistry

Volumn 22, Issue 16, 2001, Pages 1995-2009

  Yanagisawa, Susumu ^a   Tsuneda, Takao ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

BOP functional; Dissociation potential well; Long range exchange interaction; Outermost s and d orbitals; Second and third row transition metal dimer

Indexed keywords

EID: 0001616874     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1148     Document Type: Article

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