Electronic structure of pure and K-doped
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J. Guo; D.E. Ellis; D.J. Lam
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Article
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1991
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Elsevier Science
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English
โ 446 KB
The electronic structure of a CeO cluster, the soccer ball-shaped structure determined from the recent X-ray study by Hawkins et al., and of its endohedral complex KCGo were calculated using the self-consistent-field discrete variational (DV) method in the local density theoretical framework. The ca