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)

Georg Schreckenbach, P. Jeffrey Hay, Richard L. Martin. 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, 20(1):70-90, 1999. [doi]