Investigation of density functionals to predict both ground-state properties and band structures

Physical Review B - Condensed Matter and Materials Physics

Volumn 54, Issue 12, 1996, Pages 8420-8429

  Engel, G ^a   Pickett, Warren E ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0342923432     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.54.8420     Document Type: Article

References (59)

1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. For a review, see R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
3. See, for example, W. E. Pickett, Rev. Mod. Phys. 61, 433 (1989).
4. D. R. Hamann, Phys. Rev. Lett. 42, 662 (1979).
5. G. B. Bachelet and N. E. Christensen, Phys. Rev. B 31, 879 (1985).
6. L. J. Sham and M. Schlüter, Phys. Rev. Lett. 51, 1888 (1983).
7. L. J. Sham and M. Schlüter, Phys. Rev. B 32, 3883 (1985).
8. J. P. Perdew and M. Levy, Phys. Rev. Lett. 51, 1884 (1983).
9. R. W. Godby and M. Schlüter, Phys. Rev. Lett. 56, 2415 (1986).
10. G. D. Mahan and B. E. Sernelius, Phys. Rev. Lett. 62, 2718 (1989); G. D. Mahan, Many-Particle Physics, 2nd ed. (Plenum, New York, 1990), p. 477.
11. L. Hedin, Phys. Rev. 139, A796 (1965).
12. G. Strinati, H. J. Mattausch and W. Hanke, Phys. Rev. B 25, 2867 (1982).
13. M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985).
14. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986).
15. L. Mitàs and R. M. Martin, Phys. Rev. Lett. 72, 2438 (1994).
16. W. Knorr and R. W. Godby, Phys. Rev. Lett. 68, 639 (1992).
17. W. Knorr and R. W. Godby, Phys. Rev. B 50, 1779 (1994).
18. G. E. Engel, Y. Kwon and R. M. Martin, Phys. Rev. B 51, 13t538 (1995).
19. L. J. Sham and W. Kohn, Phys. Rev. 145, A561 (1966).
20. A. H. MacDonald, J. Phys. F 10, 1737 (1980).
21. C. S. Wang and W. E. Pickett, Phys. Rev. Lett. 51, 597 (1983).
22. W. E. Pickett and C. S. Wang, Phys. Rev. B 30, 4719 (1984).
23. A. Bulgac, C. Lewenkopf and V. Mickrjukov, Phys. Rev. B 52, 16t476 (1995).
24. J. W. Negele and D. Vautherin, Phys. Rev. C 5, 1472 (1972).
25. X. Campim and A. Bouyssy, Phys. Lett. 73B, 263 (1978).
26. P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964).
27. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
28. P. H. Citrin, G. K. Wertheim, T. Hashizume, F. Sette, A. A. MacDowell and F. Comin, Phys. Rev. Lett. 61, 1021 (1988).
29. S. Moroni, D. M. Ceperley and G. Senatore, Phys. Rev. Lett. 75, 689 (1995).
30. G. B. Bachelet, D. M. Ceperley, and M. G. B. Chiocchetti, Phys. Rev. Lett. 62, 2088 (1989).
31. D. M. Bylander and L. Kleinman, Phys. Rev. Lett. 74, 3660 (1995).
32. T. Kotani and H. Akai, Phys. Rev. B 52, 17t153 (1995).
33. J. Ihm, A. Zunger and M. L. Cohen, J. Phys. C 12, 4409 (1979).
34. G. P. Kerker, J. Phys. C 13, L189 (1980).
35. E. L. Shirley, L. Mitàs and R. M. Martin, Phys. Rev. B 44, 3395 (1991).
36. E. L. Shirley, X. Zhu and S. G. Louie, Phys. Rev. B 69, 2955 (1992).
37. L. Hedin and S. Lundqvist, Solid State Physics: Advances in Research and Applications, edited by F. Seitz, D. Turnbull, and E. Ehrenreich (Academic, New York, 1969), Vol. 23, p. 1.
38. S. G. Louie, S. Froyen and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
39. M. M. Dacarogna and M. L. Cohen, Phys. Rev. B 34, 4996 (1986).
40. G. E. Engel and R. J. Needs, Phys. Rev. B 41, 7876 (1990).
41. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
42. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).
43. M. Sigalas, N. C. Bacalis, D. A. Papaconstantopoulos, M. J. Mehl and A. C. Switendick, Phys. Rev. B 42, 11t637 (1990).
44. see, also, comments by J. C. Boettger, S. B. Trickey and J. A. Nobel, Phys. Rev. B 45, 7503 (1990).
45. D. A. Papaconstantopoulos and D. J. Singh, Phys. Rev. B 45, 7507 (1990).
46. R. H. Mutlu, Phys. Rev. B 52, 1441 (1995).
47. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 556 (1980), parametrized in Ref. 48.
48. A. A. Gaertner and I. M. Templeton, J. Low Temp. Phys. 29, 205 (1977).
49. W. R. Fehlner and S. H. Vosko, Can. J. Phys. 54, 2159 (1976).
50. J. P. Perdew, Chem. Phys. Lett. 64, 127 (1979).
51. A. Zunger, J. P. Perdew and G. L. Oliver, Solid State Commun. 43, 933 (1980).
52. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
53. M. S. Anderson and C. A. Swenson, Phys. Rev. B 31, 668 (1985).
54. M. S. Anderson and C. A. Swenson, Phys. Rev. B 28, 5395 (1983).
55. A. K. McMahan, Phys. Rev. B 30, 5385 (1984).
56. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 30, 5777 (1984).
57. A. Seidl, A. Görling, P. Vogl, J. A. Majewski and M. Levy, Phys. Rev. B 53, 3764 (1996).
58. D. M. Bylander and L. Kleinman, Phys. Rev. B 41, 7868 (1990).
59. G. E. Engel and M. Pederson (unpublished).