Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2- (X = F, Cl, OH) and AnF6 (An = U, Np, Pu)

Journal of Computational Chemistry

Volumn 20, Issue 1, 1999, Pages 70-90

  Schreckenbach, Georg ^a   Hay, P Jeffrey ^a   Martin, Richard L ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Actinide compounds; Density functional theory; Effective core potentials; Relativity; Uranyl complexes

Indexed keywords

EID: 0002271120     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19990115)20:1<70::AID-JCC9>3.0.CO;2-F     Document Type: Review

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