Ab initio DFT: Getting the right answer for the right reason

Journal of Molecular Structure: THEOCHEM

Volumn 771, Issue 1-3, 2006, Pages 1-8

  Bartlett, Rodney J ^a   Schweigert, Igor V ^a   Lotrich, Victor F ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

Ab initio dft; Ab initio exchange correlation functional; correlation potential; Density functional theory; Exact exchange; Hybrid functional; Optimized effective potential

Indexed keywords

EID: 33748939253     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.02.004     Document Type: Article

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