Ion-electron correlations in liquid metals from orbital-free ab initio molecular dynamics

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 10, 1998, Pages 6124-6132

  Anta, J ^a   Jesson, B ^a   Madden, P ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001520904     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.6124     Document Type: Article

References (31)

1. J. Hafner, From Hamiltonians to Phase Diagrams (Springer-Verlag, Berlin, 1987).
2. P. A. Egelstaff, N. H. March, and N. C. McGill, Can. J. Phys. 52, 1651 (1974).
3. P. J. Dobson, J. Phys. C 11, L295 (1978).
4. J. Chihara, J. Phys. F 17, 295 (1987).
5. K. Hoshino and M. Watabe, J. Phys. Soc. Jpn. 61, 1663 (1992).
6. M. Ishitobi and J. Chihara, J. Phys.: Condens. Matter 4, 3679 (1992).
7. J. Chihara and S. Kambayashi, J. Phys.: Condens. Matter 6, 10 221 (1994).
8. S. Takeda, S. Harada, S. Tamaki, and Y. Waseda, J. Phys. Soc. Jpn. 58, 3999 (1989).
9. S. Takeda, M. Inui, S. Tamaki, K. Maruyama, and Y. Waseda, J. Phys. Soc. Jpn. 63, 1794 (1994).
10. S. Takeda, Y. Kawakita, M. Inui, K. Maruyama, S. Tamaki, and Y. Waseda, J. Non-Cryst. Solids 205-207, 365 (1996).
11. J.-F. Wax, N. Jakse, and J.-L. Bretonnet, Phys. Rev. B 55, 12 099 (1997).
12. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1989).
13. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
14. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
15. G. A. de Wijs, G. Pastore, A. Selloni, and W. van der Lugt, Phys. Rev. Lett. 75, 4480 (1995).
16. M. Pearson, E. Smargiassi, and P. A. Madden, J. Phys.: Condens. Matter 5, 3221 (1993).
17. E. Smargiassi and P. A. Madden, Phys. Rev. B 49, 5220 (1994).
18. M. Foley, E. Smargiassi, and P. A. Madden, J. Phys.: Condens. Matter 6, 5231 (1994).
19. M. Foley and P. A. Madden, Phys. Rev. B 53, 10 589 (1996).
20. S. Watson, B. J. Jesson, E. A. Carter, and P. A. Madden, Europhys. Lett. 41, 37 (1998).
21. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, New York, 1986).
22. G. B. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
23. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
24. G. J. Martyna, M. J. Klein, and M. Tuckerman, J. Chem. Phys. 97, 2635 (1992).
25. L. Verlet, Phys. Rev. 165, 201 (1968).
26. A. R. Denton and P. A. Egelstaff, Z. Phys. B 103, 343 (1997).
27. F. Shimojo, K. Hoshino, and M. Watabe, J. Phys. Soc. Jpn. 63, 141 (1994).
28. N. W. Ashcroft, The Liquid State of Matter: Fluids, Simple and Complex, edited by E. W. Montroll and J. L. Lebowitz (North-Holland, Amsterdam, 1982).
29. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt-Saunders, New York, 1976).
30. S. Ichimaru, Rev. Mod. Phys. 54, 1017 (1982).
31. R. W. Shaw, Phys. Rev. 174, 769 (1968).