Theoretical determination of exact-exchange-mixing parameter employing the ionization energy theorem

International Journal of Quantum Chemistry

Volumn 69, Issue 3, 1998, Pages 255-264

  Krieger, J B ^a   Chen, J ^a   Iafrate, G J ^b,c  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b U S ARMY RESEARCH OFFICE   (United States)

^c University of Notre Dame   (United States)

Author keywords

Density functional theory; Exact exchange mixing; Ionization energy theorem; OEP KLI approximation; Self interaction correction

Indexed keywords

EID: 0009613770     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)69:3<255::AID-QUA5>3.0.CO;2-U     Document Type: Article

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