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Calculating the anharmonic free energy from first principles

✍ Scribed by Wu, Zhongqing

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Constraints on the phase diagram of moly

✍ Cazorla, C.; Alfè, D.; Gillan, M. 📂 Article 📅 2012 🏛 The American Physical Society 🌐 English ⚖ 657 KB

Absolute Hydration Free Energy of the Pr

✍ Zhan, Chang-Guo; Dixon, David A. 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 79 KB

First-principles calculation on free ene

✍ Atsuto Seko; Shigeto R. Nishitani; Isao Tanaka; Hirohiko Adachi; Eiichi F. Fujit 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 280 KB

First-order phase transitions by first-p

✍ de Wijs, Gilles A.; Kresse, Georg; Gillan, Michael J. 📂 Article 📅 1998 🏛 The American Physical Society 🌐 English ⚖ 179 KB

Free-energy calculations in solids from

✍ Smargiassi, Enrico; Madden, Paul A. 📂 Article 📅 1995 🏛 The American Physical Society 🌐 English ⚖ 551 KB

from first-principles calculations

✍ Postnikov, A. V.; Neumann, T.; Borstel, G.; Methfessel, M. 📂 Article 📅 1993 🏛 The American Physical Society 🌐 English ⚖ 456 KB