Two functions of the density matrix and their relation to the chemical bond
We examine and compare two previously introduced functions of the one-particle density matrix that are suitable to represent its off-diagonal structure in a condensed form and that have illustrative connections to the nature of the chemical bond. One of them, the Localized-Orbital Locator (LOL) [J....
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| Veröffentlicht in: | The Journal of chemical physics 2002-02, Vol.116 (8), p.3184-3193 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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