Total energy of solids: An exchange and random-phase approximation correlation study

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 24, 2002, Pages 2451031-2451034

  Miyake, T ^a   Aryasetiawan, F ^b   Kotani, T ^c   Van Schilfgaarde, M ^d   Usuda, M ^e   Terakura, K ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c OSAKA UNIVERSITY   (Japan)

^d SANDIA NATIONAL LABORATORIES   (United States)

^e TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON; SODIUM;

AB INITIO CALCULATION; ARTICLE; CORRELATION FUNCTION; DENSITY; ENERGY; EQUILIBRIUM CONSTANT; MEASUREMENT; SOLID; TECHNIQUE; THEORY;

EID: 0037116039     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (42)

1. D. Bohm and D. Pines, Phys. Rev. 92, 609 (1958).
2. L. Hedin, Phys. Rev. 139, A796,(1965).
3. L. Hedin and S. Lundqvist, in Solid State Physics, edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic, New York, 1969), Vol 23.
4. M.S. Hybertsen and S.G. Louie, Phys. Rev. Lett. 55, 1418 (1985); Phys. Rev. B 34, 5390 (1986).
5. M.S. Hybertsen and S.G. Louie, Phys. Rev. Lett. 55, 1418 (1985); Phys. Rev. B 34, 5390 (1986).
6. R.W. Godby, M. Schlüter, and L.J. Sham, Phys. Rev. Lett. 56, 2415 (1985); Phys. Rev. B 37, 10 159 (1988).
7. R.W. Godby, M. Schlüter, and L.J. Sham, Phys. Rev. Lett. 56, 2415 (1985); Phys. Rev. B 37, 10 159 (1988).
8. S. Louie, in Topics in Computational Materials Science, edited by C.Y. Fong (World Scientific, Singapore, 1998).
9. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 61, 237 (1998).
10. T. Kotani and M. van Schilfgaarde, Solid State Commun. 121, 461 (2002).
11. M. Usuda, N. Hamada, T. Kotani, and M. van Schilfgaarde, Phys. Rev. B 66, 125101 (2002).
12. B. Holm and U. von Barth, Phys. Rev. B 57, 2108 (1998).
13. B. Holm, Phys. Rev. Lett. 83, 788 (1999).
14. P. García-González and R.W. Godby, Phys. Rev. B 63, 075112 (2001).
15. A. Schindlmayr, T.J. Pollehn, and R.W. Godby, Phys. Rev. B 58, 12 684 (1998).
16. F. Aryasetiawan, T. Miyake, and K. Terakura, Phys. Rev. Lett. 88, 166401 (2002).
17. Z. Yan, J.P. Perdew, and S. Kurth, Phys. Rev. B 61, 16 430 (2000).
18. F. Furche, Phys. Rev. B 64, 195120 (2001).
19. M. Fuchs and X. Gonze, Phys. Rev. B (to be published).
20. P. Sánchez-Friera and R.W. Godby, Phys. Rev. Lett. 85, 5611 (2000).
21. T. Miyake, F. Aryasetiawan, H. Kino, and K. Terakura, Phys. Rev. B 64, 233109 (2001).
22. J.M. Luttinger and J.C. Ward, Phys. Rev. 118, 1417 (1960).
23. U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
24. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 49, 16 214 (1994).
25. F. Aryasetiawan, in Strong Coulomb Correlations in Electronic Structure Calculations, edited by V. I. Anisimov (Gordon and Breach, Singapore, 2000).
26. G. Baym and L.P. Kadanoff, Phys. Rev. 124, 287 (1961).
27. G. Baym, Phys. Rev. 127, 1391 (1962).
28. V.M. Galitskii and A.B. Migdal, Zh. Éksp. Teor. Fiz. 34, 139 (1958) [Sov. Phys. JETP 139, 96 (1958)].
29. J.F. Dobson and J. Wang, Phys. Rev. B 62, 10 038 (2000).
30. W. Kohn, Y. Meir, and D.E. Makarov, Phys. Rev. Lett. 80, 4153 (1998).
31. J.M. Pérez-Jordá, E. San-Fabián, and A.J. Pérez-Jiménez, J. Chem. Phys. 110, 1916 (1999).
32. E. Hult, H. Rydberg, B.I. Lundqvist, and D.C. Langreth, Phys. Rev. B 59, 4708 (1999).
33. E. Engel, A. Höck, and R.M. Dreizler, Phys. Rev. A 61, 032502 (2000).
34. H. Sawada and K. Terakura, Phys. Rev. B 58, 6831 (1998).
35. D.C. Langreth and M.J. Mehl, Phys. Rev. B 28, 1809 (1983).
36. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
37. 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).
38. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).
39. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).
40. J.P. Perdew, S. Kurth, A. Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544 (1999).
41. W. Kohn and A.E. Mattsson, Phys. Rev. Lett. 81, 3487 (1998).
42. L. Vitos, B. Johanssin, J. Kollár, and H.L. Skriver, Phys. Rev. B 62, 10 046 (2000).