Obtaining localized orbitals and band structure in self-interaction-corrected density-functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 12, 1999, Pages 8543-8549

  Xie, Yuannan ^a,b   Han, Rushan ^a   Zhang, Xinwei ^b  

^a PEKING UNIVERSITY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0345203968     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.8543     Document Type: Article

References (35)

1. W. Kohn and L.J. Sham, Phys. Rev., 140, A1133, (1965).
2. P. Hohenberg and W. Kohn, Phys. Rev., 136, B864, (1964).
3. R.O. Jones and O. Gunnarsson, Rev. Mod. Phys., 61, 689, (1989).
4. L.J. Sham and M. Schlüter, Phys. Rev. Lett., 51, 1888, (1983).
5. J.P. Perdew and A. Zunger, Phys. Rev. B, 23, 5048, (1981).
6. R.A. Heaton, J.G. Harrison and C.C. Lin, Phys. Rev. B, 28, 5992, (1983).
7. R.A. Heaton and C.C. Lin, J. Phys. C, 17, 1853, (1984).
8. S.C. Erwin and C.C. Lin, J. Phys. C, 21, 4285, (1988).
9. Yan Li, J.B. Krieger, M.R. Norman and G.J. Iafrate, Phys. Rev. B, 44, 10 437, (1991).
10. N. Hamada and S. Ohnishi, Phys. Rev. B, 34, 9042, (1986).
11. A. Svane and O. Gunnarsson, Phys. Rev. B, 37, 9919, (1988).
12. A. Svane and O. Gunnarsson, Europhys. Lett., 7, 171, (1988).
13. Y. Ishii and K. Terakura, Phys. Rev. B, 42, 10 924, (1990).
14. J.A. Majewski and P. Vogl, Phys. Rev. B, 46, 12 219, (1992)
15. J.A. Majewski and P. Vogl, Phys. Rev. B, 46, 12 235, (1992).
16. A. Svane and O. Gunnarsson, Phys. Rev. Lett., 65, 1148, (1990).
17. A. Svane and O. Gunnarsson, Solid State Commun., 76, 851, (1990).
18. A. Svane, Phys. Rev. Lett., 68, 1900, (1992)
19. A. Svane, Phys. Rev. Lett., 72, 1248, (1994).
20. Y. Xie, R. Han and X. Zhang, Phys. Rev. B, 58, 12 721, (1998).
21. W. Kohn, Phys. Rev., 115, 809, (1959).
22. N. Marzari and D. Vanderbilt, Phys. Rev. B, 56, 12 847, (1997).
23. M.R. Pederson, R.A. Heaton and C.C. Lin, J. Chem. Phys., 80, 1972, (1984).
24. B. Chattopadhyay and D.M. Gaitonde, Phys. Rev. B, 55, 15 364, (1997).
25. X.-Z. Yan, Phys. Rev. B, 48, 7140, (1993).
26. A. Shukla, M. Dolg, P. Fulde and H. Stoll, Phys. Rev. B, 57, 1471, (1998).
27. I. Štich, R. Car, M. Parrinello and S. Baroni, Phys. Rev. B, 39, 4997, (1989).
28. J.F. Janak, Phys. Rev. B, 18, 7165, (1978).
29. M.R. Pederson, R.A. Heaton and C.C. Lin, J. Chem. Phys., 82, 2688, (1985).
30. O.K. Andersen, Z. Pawlowska and O. Jepsen, Phys. Rev. B, 34, 5253, (1986).
31. J.G. Harrison, R.A. Heaton and C.C. Lin, J. Phys. B, 16, 2079, (1983).
32. W.M. Temmerman, Z. Szotek and H. Winter, Phys. Rev. B, 47, 1184, (1993).
33. E.H. Lieb and F.Y. Wu, Phys. Rev. Lett., 20, 1445, (1968).
34. J.W. Cannon, R.T. Scalettar and E. Fradkin, Phys. Rev. B, 44, 5995, (1991).
35. G.P. Zhang, Phys. Rev. B, 56, 9189, (1997).