E sub cov - a new tool for the analysis of electronic structure data in a chemical language
It is shown that a generalization of the covalent bond energy of the tight-binding bond model to the case of a non-orthogonal basis set is an appropriate tool to describe the bonding properties of solids in a chemical language. It does not suffer from problems related to the ill-defined average elec...
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| Veröffentlicht in: | Journal of physics. Condensed matter 1999-06, Vol.11 (25), p.L287-L293 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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