Structure and dynamics of liquid lithium: Comparison of ab initio molecular dynamics predictions with scattering experiments

Journal of Physics Condensed Matter

Volumn 11, Issue 32, 1999, Pages 6099-6111

  Anta, J A ^a,b   Madden, P A ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000351967     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/11/32/302     Document Type: Article

References (33)

1. Hafner J 1987 From Hamiltonians to Phase Diagrams (Berlin: Springer)
2. Kresse G 1996 J. Non-Cryst. Solids 205-207 833
3. Kambayashi S, Nowotny G, Chihara J and Kahl G 1996 J. Non-Cryst. Solids 205-207 914
4. Canales M, González L E and Padró J A 1994 Phys. Rev. E 50 3657 Canales M, Padró J A, González L E and Giró A 1993 J. Phys.: Condens. Matter 5 3095
5. Canales M, González L E and Padró J A 1994 Phys. Rev. E 50 3657 Canales M, Padró J A, González L E and Giró A 1993 J. Phys.: Condens. Matter 5 3095
6. de Wijs G A, Pastore G, Selloni A and van der Lugt W 1995 Phys. Rev. Lett. 75 4480
7. Car R and Parrinello M 1989 Phys. Rev. Lett. 55 2471
8. Remler D K and Madden P A 1990 Mol. Phys. 70 921
9. Payne M C, Teter M P, Allan D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
10. Parr R G and Yang W 1989 Density-Functional Theory of Atoms and Molecules (Oxford: Oxford University Press)
11. J Pearson M, Smargiassi E and Madden P A 1993 J. Phys. : Condens. Matter 5 3221
12. Smargiassi E and Madden P A 1994 Phys. Rev. B 49 5220
13. Foley M, Smargiassi E and Madden P A 1994 J. Phys.: Condens. Matter 6 5231
14. Foley M and Madden P A 1996 Phys. Rev. B 53 10589
15. Anta J A, Jesson B J and Madden P A 1998 Phys. Rev. B 58 6124
16. González L E, González D J, Silbert M and Alonso J A 1993 J. Phys.: Condens. Matter 5 4283
17. de Jong P H K, Verkerk P and de Graaf L A 1966 J. Non-Cryst. Solids 156-158 48
18. Sinn H, Seite F, Bergmann U, Halcoussis Ch, Krisch M, Verbeni R and Burkel E 1997 Phys. Rev. Lett. 78 1715
19. Ohse R W (ed) 1985 Handbook of Thermodynamic and Transport Properties of Alkali Metals (Oxford: Blackwell)
20. Olbrich H, Ruppersberg H and Steeb S 1983 Z. Naturf. a 38 1328
21. Walson S, Jesson B J, Carter E A and Madden P A 1998 Europhys. Lett. 41 37
22. Chihara J 1987 J. Phys. F: Met. Phys. 17 295
23. Takeda S, Kawakita Y, Inui M, Maruyama K, Tamaki S and Waseda Y 1996 J. Non-Cryst. Solids 205-207 365
24. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
25. Dagens L 1972 J. Phys. C: Solid State Phys. 5 2333
26. Manninen M, Jena P, Nieminen R M and Lee J K 1981 Phys. Rev. B 24 7057
27. Chihara J 1989 Phys. Rev. A 40 4507
28. Anta J A, Jesson B J and Madden P A 1999 to be published
29. Hansen J-P and McDonald I R 1986 Theory of Simple Liquids (New York: Academic)
30. Anta J A and Louis A A 1999 to be published
31. Denton A R and Egelstaff P A 1997 J. Phys. B: At. Mol. Phys. 103 343
32. Allen M P and Tildesley D J 1987 Computer Simulation of Liquids (Oxford: Clarendon)
33. Tuckerman M E and Parrinello M 1994 J. Chem. Phys. 101 1316