The importance of self-interaction and nonlocal exchange corrections to the density functional...
| Autor: | Blake, Nick P., Metiu, Horia |
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| Zdroj: | Journal of Chemical Physics; 4/15/1999, Vol. 110 Issue 15, p7457, 10p, 7 Diagrams, 6 Charts |
| Abstrakt: | Studies the importance of self-interaction and nonlocal exchange corrections to the density functional theory of intracavity electrons in Na-doped sodalites. Theoretical foundations; Spin-density functional theory at various levels; Implementation of the UHF approximation in periodic solids. |
| Databáze: | Complementary Index |
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