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- W1993417103 abstract "A newly developed first-principles many-electron method which is based on molecular orbital (MO) theory is applied to the analysis of the 4f–5d transition of a (PrF8)5− cluster and the 5f–6d transition of a (UF8)4− cluster in LiYF4 (YLF) crystal. Strong peaks in the f–d bands are mainly assigned to the transitions to the first three ligand–field components in the d levels. In principles, all peaks are interpreted by mixtures between various one-electron transitions. The larger spin–orbit splitting in the 5f levels in U4+:YLF leads to the assignment of peaks different from Pr3+:YLF." @default.
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- W1993417103 date "2004-07-01" @default.
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- W1993417103 title "First-principles analysis method for the f–d transitions of heavy metal ions" @default.
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- W1993417103 doi "https://doi.org/10.1016/j.jallcom.2003.11.045" @default.
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