Ab initio molecular dynamic study of liquid hydrogen fluorine under pressure

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 22, 2005, Pages

  Maillet, Jean Bernard ^a   Bourasseau, Emeric ^a   Recoules, Vanina ^a  

^a DIF   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644442164     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.224103     Document Type: Article

References (18)

1. M. Atoji and W. N. Lipscomp, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X54000497 7, 173 (1954).
2. U. Röthlisberger and M. Parrinello, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473988 106, 4658 (1997).
3. M. Kreitmer, H. Bertagnolli, J. J. Mortensen, and M. Parrinello, J. Chem. Phys. JCPSA6 0021-9606 118, 0021 (2003).
4. T. Ikeda, M. Sprik, K. Terakura, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.4416 81, 4416 (1998).
5. G. Kresse and J. Furthmller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
6. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
7. P. E. Blachl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
8. L. A. Curtiss, K. Raghavachari, J. W. Trucks, and J. A. Pople, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460205 94, 7221 (1991).
9. A. S. Pine and B. J. Howard, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450605 84, 590 (1986).
10. B. J. Howard, T. R. Dike, and W. Klemperer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447641 81, 5417 (1984).
11. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
12. Y. Wang and J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.13298 44, 13298 (1991).
13. A. B. Belonoshko, S. I. Simak, A. E. Kochetov, B. Johansson, L. Burakovsky, and D. L. Preston, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.195701 92, 195701 (2004).
14. M.-L. Charlet, F. anf Turkel, J.-F. Danel, and L. Kazandjian, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.368640 84, 4227 (1998).
15. E. Bourasseau, L. Mondelain, P.-M. Anglade, and J.-B. Maillet, Mol. Phys. MOPHAM 0026-8976 31, 705 (2005).
16. U. Balucani, D. Bertolini, G. Sutmann, A. Tani, and R. Vallauri, J. Chem. Phys. JCPSA6 0021-9606 111, 0021 (1999).
17. M. E. Cournoyer and W. L. Jorgensen, Mol. Phys. MOPHAM 0026-8976 51, 119 (1984).
18. C. Cavazzoni, G. L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, and M. Parrinello, Science SCIEAS 0036-8075 10.1126/science.283.5398.44 283, 44 (1999).