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- W1994962262 abstract "Abstract Relativistic self-consistent calculations using the Dirac-Slater discrete variational method (DVM) have been carried out in order to obtain the electronic structure of AnO 8 13− , AnCl 6 3− and AnF 8 5− clusters (AnU 3+ , Am 3+ , and Cm 3+ ). From the states compositions, the degree of An (5f)-ligand (np) covalency is discussed. From the absorption and excitation spectra of compounds such as ThO 2 , Cs 2 NaYCl 6 and LiYF 4 doped with Am 3+ , Cm 3+ or U 3+ , intense broad bands observed in the UV region are attributed to 5f-6d transitions. The first maximum of these bands is compared to the energy difference between the last occupied 5f orbital and the first unoccupied 6d orbital in the ground state electronic structure of the clusters." @default.
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- W1994962262 date "1995-07-01" @default.
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- W1994962262 title "Electronic structure and 5f-6d energy gap of trivalent actinides in AnO813− , AnCl63− and AnF85− clusters using DV — Xα method" @default.
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