Quantum Monte Carlo, density functional theory, and pair potential studies of solid neon

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 2, 2006, Pages

  Drummond, N D ^a   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33144465382     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.024107     Document Type: Article

References (45)

1. E. Gregoryanz, R. J. Hemley, H.-K. Mao, and P. Gillet, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.3117 84, 3117 (2000);
2. J. Li, H.-K. Mao, Y. Fei, E. Gregoryanz, M. Eremets, and C. S. Zha, Phys. Chem. Miner. PCMIDU 0342-1791 10.1007/s00269-001-0224-4 29, 166 (2002);
3. S. D. Jacobsen, H. Spetzler, H. J. Reichmann, and J. R. Smyth, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.0401564101 101, 5867 (2004);
4. J.-F. Lin, V. V. Struzhkin, S. D. Jacobsen, M. Y. Hu, P. Chow, J. Kung, H. Liu, H.-K. Mao, and R. J. Hemley, Nature NATUAS 0028-0836 10.1038/nature03825 436, 377 (2005).
5. Rare Gas Solids, edited by, M. L. Klein, and, J. A. Venables, (Academic, New York, 1977).
6. S. M. Cybulski and R. R. Toczyłowski, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480430 111, 10520 (1999).
7. M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002).
8. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
9. D. C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
10. G. J. Ackland, M. C. Warren, and S. J. Clark, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/37/017 9, 7861 (1997).
11. J. R. Trail and R. J. Needs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1829049 122, 014112 (2005).
12. J. R. Trail and R. J. Needs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1888569 122, 174109 (2005).
13. D. Alfè, M. Alfredsson, J. Brodholt, M. J. Gillan, M. D. Towler, and R. J. Needs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.014114 72, 014114 (2005).
14. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
15. W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.33 73, 33 (2001).
16. J. B. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.432868 65, 4121 (1976).
17. M. M. Hurley and P. A. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452294 86, 1069 (1987).
18. L. Mitáš, E. L. Shirley, and D. M. Ceperley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460849 95, 3467 (1991).
19. R. J. Needs, M. D. Towler, N. D. Drummond, and P. Lopez Rios, CASINO Version 2.0 User Manual (University of Cambridge, Cambridge, 2005).
20. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.60.1719 60, 1719 (1988).
21. N. D. Drummond and R. J. Needs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.085124 72, 085124 (2005).
22. D. Alfè and M. J. Gillan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.161101 70, 161101 (R) (2004).
23. A. J. Williamson, R. Q. Hood, and J. C. Grossman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.246406 87, 246406 (2001).
24. N. D. Drummond, M. D. Towler, and R. J. Needs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.235119 70, 235119 (2004).
25. P. P. Ewald, Ann. Phys. ANPYA2 0003-3804 64, 253 (1921).
26. D. Ceperley, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.18.3126 18, 3126 (1978).
27. P. R. C. Kent, R. Q. Hood, A. J. Williamson, R. J. Needs, W. M. C. Foulkes, and G. Rajagopal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59. 1917 59, 1917 (1999).
28. F. H. Zong, C. Lin, and D. M. Ceperley, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.66.036703 66, 036703 (2002).
29. D. M. Ceperley and B. J. Alder, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.36.2092 36, 2092 (1987).
30. G. Rajagopal, R. J. Needs, A. James, S. D. Kenny, and W. M. C. Foulkes, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.10591 51, 10591 (1995).
31. R. A. Aziz and H. H. Chen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.434827 67, 5719 (1977).
32. R. A. Aziz and M. J. Slaman, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(89)87048-X 130, 187 (1989).
33. T. Korona, H. L. Williams, R. Bukowski, B. Jeziorski, and K. Szalewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473556 106, 5109 (1997).
34. T. Tsuchiya and K. Kawamura, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1502241 117, 5859 (2002).
35. R. J. Hemley, C. S. Zha, A. P. Jephcoat, H. K. Mao, L. W. Finger, and D. E. Cox, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.11820 39, 11820 (1989).
36. P. S. Hawke, T. J. Burgess, D. E. Duerre, J. G. Huebel, R. N. Keeler, H. Klapper, and W. C. Wallace, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.41.994 41, 994 (1978).
37. M. Runne and G. Zimmerer, Nucl. Instrum. Methods Phys. Res. B NIMBEU 0168-583X 10.1016/0168-583X(95)00073-9 101, 156 (1995).
38. S. Galamić-Mulaomerović and C. H. Patterson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.195103 71, 195103 (2005).
39. A. J. Williamson, R. Q. Hood, R. J. Needs, and G. Rajagopal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.12140 57, 12140 (1998).
40. M. D. Towler, R. Q. Hood, and R. J. Needs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.2330 62, 2330 (2000).
41. K. T. Tang and J. P. Toennies, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447150 80, 3726 (1984).
42. J.-P. Hansen, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.172.919 172, 919 (1968).
43. E. L. Pollock, T. A. Bruce, G. V. Chester, and J. A. Krumhansl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.5.4180 5, 4180 (1972).
44. J. Skalyo Jr., V. J. Minkiewicz, G. Shirane, and W. B. Daniels, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.6.4766 6, 4766 (1972).
45. M. S. Anderson, R. Q. Fugate, and C. A. Swenson, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00654913 10, 345 (1973).