<Emphasis Type="Italic">Ab initio</Emphasis> theory of the electronic structure and spectra of impurity <Emphasis Type="Italic">nl</Emphasis> ions |
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Authors: | N A Kulagin |
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Institution: | (1) Kharkov National University of Radio Electronics, National Academy of Sciences of Ukraine, Kharkov, 61045, Ukraine |
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Abstract: | The fundamentals of the theory of the electronic structure of impurity clusters and the results of numerical calculations for the iron-, lanthanum-, and actinium-group ions in Me+n: L]k clusters are presented. The effects of the interionic distance and ligands in the Me+n: L]k clusters on the electronic structure of the nl N and nlN?1n′l′ configurations of the 3d, 4f, and 5f ions are considered. The correspondence between the optical and x-ray spectra of different impurity crystals is also analyzed. |
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