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Density functional theory of the crystal field in dioxides

Author:
M. Divi?   J. Kuriplach   M. Richter   L. Steinbeck  


Journal:
Czechoslovak Journal of Physics


Issue Date:
1996


Abstract(summary):

Presented are the results of ab initio density functional calculations for PrO 2 and UO 2 using the general potential LAPW and optimized LCAO method in the local density approximation. The crystal field splitting of ionic Pr 4+ and U 4+ ground states were calculated and compared with predictions of a superposition model


Page:
1929-1930


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