Performance of Becke's exchange functional fitted for Gaussian basis sets

Journal of Molecular Structure: THEOCHEM

Volumn 363, Issue 3, 1996, Pages 279-290

  Garcia A ^a   Cruz, E M ^a   Sarasola, C ^a   Ugalde, J M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

Ab initio calculation; Density functional theory; Exchange functional; Molecular property

Indexed keywords

EID: 0013620416     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(95)04450-7     Document Type: Article

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