Discrete Variational X_a Cluster Calculations of Electronic Structure for Uranium Compounds
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概要
- 論文の詳細を見る
The energy levels for (U0g)"= and (UX6)"- (X=N,.0 and S) clusters havebeen investinated usinn the self-consistent discrete variational'(DV)-Xa method. 'The level structure, esr>eciallv in valence band of anion r>is *eatlv modified bvtaking accotmt of potentials from surrounding ions, and agrees well with theexperimental XPS spectra. The effects of self-consistency are small in the levelstructures of (U0g)",7, but are very important in those of (UX,)"- clusters.
- 社団法人日本物理学会の論文
- 1980-01-15
著者
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Adachi Hirohiko
Department Of Nuclear Engineering Osaka University
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Imoto Shosuke
Department Of Nuclear Engineering Osaka University
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Imoto Shosuke
Department Of Nuclear Engineering Faculty Of Engineering
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Shiokawa Syoji
Department Of Nuclear Engineering Osaka University
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Shiokawa Syoji
Department Of Nuclear Engineering Faculty Of Engineering Osaka University
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Adachi Hirohiko
Department Of Chemistry Hyogo University Of Teacher Education
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