Теорема про диференцiювання енергiї багатоатомної системи по координатах атомiв (частина I)
The theorem asserting that the arbitrary-order derivative of the average energy of a solid with respect to atomic coordinates equals the average value of the corresponding derivative of the potential energy operator with respect to atomic coordinates has been proved. This theorem is a generalization...
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| Datum: | 2018 |
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| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | English Ukrainian |
| Veröffentlicht: |
Publishing house "Academperiodika"
2018
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| Schlagworte: | |
| Online Zugang: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018500 |
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| Назва журналу: | Ukrainian Journal of Physics |
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Ukrainian Journal of Physics| Zusammenfassung: | The theorem asserting that the arbitrary-order derivative of the average energy of a solid with respect to atomic coordinates equals the average value of the corresponding derivative of the potential energy operator with respect to atomic coordinates has been proved. This theorem is a generalization of the well-known Gell-Mann–Feynman theorem, which was proved only for the first derivative of the average energy with respect to atomic coordinates. A necessity insuch a generalization is associated with the calculation of force constants in solids, which are the derivatives of the average energy with respect to atomic coordinates, and, maybe, other physical quantities. |
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