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Developments in Thermodynamics

✍ Scribed by SKINNER, H. A. ;SCHÄFER, K. ;ROWLINSON, J. S.


Book ID
109603773
Publisher
Nature Publishing Group
Year
1959
Tongue
English
Weight
497 KB
Volume
184
Category
Article
ISSN
0028-0836

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Recent developments in ab initio thermod
✍ D. Alfè; G. A. de Wijs; G. Kresse; M. J. Gillan 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 199 KB 👁 2 views

It has recently become possible to calculate the free energy and other thermodynamic functions of solids and liquids using density functional theory to treat the quantum mechanics of the electrons. We present the main ideas that have made this possible, emphasizing the key role of thermodynamic inte