Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 3, 2002, Pages 1-6

  Kim, Yong Hoon ^a,b   Görling, Andreas ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85038946973     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.035114     Document Type: Article

References (45)

1. E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory II, Springer Series in Topics in Current Chemistry Vol. 181, edited by R. F. Nalewajski (Springer, Heidelberg, 1996).
2. M. E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by D.P. Chong (World Scientific, Singapore, 1995).
3. T. Ando, Z. Phys. B 26, 263 (1977).
4. A. Zangwill and P. Soven, Phys. Rev. Lett. 45, 204 (1980).
5. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
6. We use Hartree atomic units, (formula presented), throughout.
7. W. G. Aulbur, L. Jönsson, and J. W. Wilkins, Phys. Rev. B 54, 8540 (1996).
8. Ph. Ghosez, X. Gonze, and R. W. Godby, Phys. Rev. B 56, 12 811 (1997).
9. L. Reining, V. Olevano, A. Rubio, and G. Onida, Phys. Rev. Lett. 88, 066404 (2002).
10. Y.-H. Kim, I.-H. Lee, S. Nagaraga, J. P. Leburton, R. Q. Hood, and R. M. Martin, Phys. Rev. B 61, 5202 (2000);
11. L. Pollack and J. P. Perdew, J. Chem. Phys. 12, 1239 (2000);
12. P. Garcia-Gonzalez, Phys. Rev. B 62, 2321 (2000);
13. P. Garcia-Gonzalez and R. W. Godby, Phys. Rev. Lett. 88, 056406 (2002).
14. J. P. Perdew and M. Levy, Phys. Rev. Lett. 51, 1884 (1983);
15. Phys. Rev. Lett.L. J. Sham and M. Schlüter, 51, 1888 (1983).
16. C. J. Umrigar, A. Savin, and X. Gonze, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998);
17. A. I. Al-Sharif, R. Resta, and C. J. Umrigar, Phys. Rev. A 57, 2466 (1998).
18. A. Görling, Phys. Rev. A 54, 3912 (1996);
19. C. Filippi, C. J. Umrigar, and X. Gonze, J. Chem. Phys. 107, 9994 (1997).
20. T. Grabo and E. K. U. Gross, Int. J. Quantum Chem. 64, 95 (1997).
21. Y.-H. Kim, M. Städele, and R. M. Martin, Phys. Rev. A 60, 3633 (1999).
22. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
23. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
24. F. Della Sala and A. Görling, J. Chem. Phys. 115, 5718 (2001);
25. J. Chem. Phys.F. Della Sala, A. Görling116, 5374 (2002);
26. O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 64, 042506 (2001).
27. D. M. Bylander and L. Kleinman, Phys. Rev. Lett. 74, 3660 (1995);
28. D. M. Bylander, L. KleinmanPhys. Rev. B 52, 14 566 (1995);
29. Phys. Rev. BD. M. Bylander, L. Kleinman54, 7891 (1996);
30. Phys. Rev. BD. M. Bylander, L. Kleinman55, 9432 (1997).
31. M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. 79, 2089 (1997);
32. M. Städele, M. Moukara, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. B 59, 10 031 (1999).
33. Z. H. Levine and D. C. Allan, Phys. Rev. Lett. 63, 1719 (1989);
34. Z. H. Levine, D. C. AllanPhys. Rev. B 43, 4187 (1991).
35. Y.-H. Kim, M. Städele, and A. Görling, Int. J. Quantum Chem. (to be published).
36. R. M. Pick, M. H. Cohen, and R. M. Martin, Phys. Rev. B 1, 910 (1970).
37. S. L. Adler Phys. Rev. 126, 413 (1962);
38. Phys. Rev.N. Wiser, 129, 62 (1963).
39. A. Görling, Int. J. Quantum Chem. 69, 265 (1998);
40. A. GörlingPhys. Rev. A 57, 3433 (1998).
41. See, e.g., M. Rohlfing and S. G. Louie, Phys. Rev. B 62, 4927 (2000).
42. I. V. Tokatly and O. Pankratov, Phys. Rev. Lett. 86, 2078 (2001).
43. X. Gonze and M. Scheffler, Phys. Rev. Lett. 82, 4416 (1999).
44. Quasiparticles in the conventional sense that involve (formula presented)-electron excitations in contrast to “KS quasiparticles” that describe N-electron (electron-number conserving) one-particle excitations.
45. Y.-H. Kim and A. Görling, Phys. Rev. Lett. (to be published).