First-principles molecular dynamics of metallic systems

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 19, 1999, Pages 13241-13244

  Vande Vondele, Joost ^a   De Vita, Alessandro ^b,c  

^a ETH ZURICH   (Switzerland)

^b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

^c UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001215349     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.13241     Document Type: Article

References (14)

1. G. W. Fernando, Phys. Rev. B, 40, 7985 (1989);
2. J. Theilhaber, Phys. Rev. B 46, 12 990 (1992).
3. N. Marzari, D. Vanderbilt, and M. C. Payne, Phys. Rev. Lett., 79, 1337 (1997).
4. R. Car and M. Parrinello, Phys. Rev. Lett., 55, 2471 (1985).
5. G. Pastore, Phys. Rev. A, 44, 6334 (1991).
6. P. E. Blöchl and M. Parrinello, Phys. Rev. B, 45, 9413 (1992).
7. S. Nosé, J. Chem. Phys., 81, 511 (1984).
8. N. D. Mermin, Phys. Rev., 137, A1441 (1965).
9. M. J. Gillan, J. Phys.: Condens. Matter, 1, 689 (1989).
10. M. Methfessel and A. Paxton, Phys. Rev. B, 40, 3616 (1989).
11. S. de Gironcoli, Phys. Rev. B 51, 6773 (1995).
12. N. Marzari, D. Vanderbilt, A. De Vita, and M. C. Payne, Phys. Rev. Lett., 82, 3296 (1999).
13. M. P. Grumbach, D. Hohl, R. M. Martin, and R. Car, J. Phys.: Condens. Matter, 6, 1999 (1994).
14. F. Tassone, F. Mauri, and R. Car, Phys. Rev. B, 50, 10 561 (1994)