Thermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics
Fuente:
arXiv
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| Auteurs principaux: | Park, Junsoo, Wu, Zhigang, Lawson, John W. |
|---|---|
| Format: | Preprint |
| Publié: |
2024
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| Sujets: | |
| Accès en ligne: | |
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