An All-electron First-principles Molecular Dynamics Method and a Possibility of its Application to Atomistically Distorted Systems

Author:

Ohno Kaoru,Maruyama Yutaka,Kamiyama Hiroshi,Bei Eizo,Shiga Keiichiro,Li Zhi-Qiang,Esfarjani Keivan,Kawazoe Yoshiyuki

Publisher

Springer Berlin Heidelberg

Reference22 articles.

1. L. A. Girifalco: ‘Atomic Migration in Crystals’ ( Blaisdell Pub., New York, 1964 ).

2. B. L. Averbach, D. K. Felbeck, G. T. Hahn, D. A. Thomas: (eds), ‘Fracture’ ( MIT Press, Cambridge, Massachusetts, 1959 ).

3. R. Car, M. Parrinello: Phys. Rev. Lett. 55, 2471 (1985).

4. As a review, see: M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, J. D. Joannopoulos: Rev. Mod. Phys. 64, 1045 (1992).

5. F. Buda, G. L. Chiarotti, R. Car, M. Parrinello: Phys. Rev. Lett. 63, 294 (1989).

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