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Electronic Structure and Optical Absorption Bands of the U Center in Alkaline Earth Fluorides Calculated by the SCF-MSX alpha Method

机译:用sCF-msXα法计算碱土氟中心U中心的电子结构和光吸收带

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The self-consistent-field multiple-scattering method in the X alpha approximation is used to calculate the electronic structure and the optical transition energies of the U center in CaF sub 2 , SrF sub 2 and BaF sub 2 . The very good agreement obtained between the experimental and theoretical results concerning the optical bands indicates that the scheme used is convenient to treat this type of defect. (Atomindex citation 08:329889)

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