Entropies of Condensed Phases and Complex Systems : A First Principles Approach
Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many appli...
Enregistré dans:
| Hovedforfatter: | |
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| Format: | Livre numérique |
| Sprog: | Anglais |
| Udgivet: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Udgivelse: | 1st ed. 2011. |
| Serier: | Springer Theses, Recognizing Outstanding Ph.D. Research
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| Online adgang: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Kommentar: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Entropies of Condensed Phases and Complex Systems, Texte imprimé, 9783642157356 • Entropies of Condensed Phases and Complex Systems, Texte imprimé, 9783642266782 • Entropies of Condensed Phases and Complex Systems, Texte imprimé, 9783642157370 |
Indholdsfortegnelse:
- Introduction From atomistic calculations to thermodynamic quantities Assessment of the rigid rotor harmonic oscillator model at increased Densities Liquid phase thermodynamics from the quantum cluster equilibrium model Phase transitions Outlook.