𝔖 Bobbio Scriptorium
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Ab initio molecular dynamics with variable cell shape: Application to

✍ Scribed by Wentzcovitch, Renata M.; Martins, José Luís; Price, G. D.


Book ID
120549155
Publisher
The American Physical Society
Year
1993
Tongue
English
Weight
395 KB
Volume
70
Category
Article
ISSN
0031-9007

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📜 SIMILAR VOLUMES


Ab initio molecular dynamics simulated a
✍ Bernd Hartke; Emily A. Carter 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 437 KB

The feasibility of ab initio generalized valence bond molecular dynamics simulated annealing for applications to small systems of realistic complexity is demonstrated by the successful location of the global energy minimum on the potential energy surface of 2Ni5, independent of the initial condition