Differentiability in density-functional theory: Further study of the locality theorem

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 70, Issue 3, 2004, Pages

  Lindgren, Ingvar ^a   Salomonson, Sten ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; FERMI LEVEL; FUNCTION EVALUATION; PROBABILITY DENSITY FUNCTION; THEOREM PROVING;

DENSITY FUNCTIONAL THEORY (DFT); HOHENBERG-KOHN UNIVERSAL FUNCTION; IONIZATION ENERGY; LOCALITY THEOREM;

IONIZATION;

EID: 19644401034     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.70.032509     Document Type: Article

References (55)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
3. H. Englisch and R. Englisch, Phys. Status Solidi B 123, 711 (1984).
4. H. Englisch and R. Englisch, Phys. Status Solidi B 124, 373 (1984).
5. E. H. Lieb, Int. J. Quantum Chem. 24, 243 (1983).
6. R. van Leeuwen, Adv. Quantum Chem. 43, 25 (2003).
7. T. Gál, Phys. Rev. A 62, 044501 (2000).
8. A. Holas and N. M. March, Phys. Rev. A 64, 016501 (2001).
9. A. Holas and N. M. March, Phys. Rev. A 66, 066501 (2002).
10. I. Lindgren and S. Salomonson, Phys. Rev. A 67, 056501 (2003).
11. I. Lindgren and S. Salomonson, Adv. Quantum Chem. 43, 95 (2003).
12. R. K. Nesbet, e-print physics/0309121.
13. R. K. Nesbet, e-print physics/0309120.
14. L. H. Thomas, Proc. Cambridge Philos. Soc. 23, 542 (1927).
15. E. Fermi, Z. Phys. 48, 73 (1928).
16. E. H. Lieb, Rev. Mod. Phys. 53, 603 (1981).
17. R. K. Nesbet, Phys. Rev. A 58, R12 (1998).
18. R. K. Nesbet, Phys. Rev. A 65, 010502(R) (2001).
19. R. K. Nesbet, Adv. Quantum Chem. 43, 1 (2003).
20. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
21. R. M. Dreizier and E. K. U. Gross, Density Functional Theory (Springer-Verlag, Berlin, 1990).
22. M. Levy, Phys. Rev. A 26, 1200 (1982).
23. A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994).
24. J. P. Perdew and M. Levy, Phys. Rev. B 56, 16021 (1997).
25. P. Blanchard and E. Brüning, Variational Methods in Mathematical Physics. A Unified Approach (Springer-Verlag, Berlin, 1992).
26. L. A. Lusternik and V. J. Sobolev, Elements of Functional Analysis (Wiley, New York, 1961).
27. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
28. M. Levy, Proc. Natl. Acad. Sci. U.S.A. 76, 6062 (1979).
29. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 10, 4274 (1976).
30. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Baldus, Jr., Phys. Rev. Lett. 49, 1691 (1982).
31. C.-O. Almbladh and A. C. Pedroza, Phys. Rev. A 29, 2322 (1984).
32. C.-O. Almbladh and U. von Barth, Phys. Rev. B 31, 3231 (1985).
33. I. Lindgren and S. Salomonson (unpublished).
34. R. K. Nesbet, Int. J. Quantum Chem. 95, 816 (2003).
35. R. K. Nesbet, e-print physics/0309117.
36. R. K. Nesbet, e-print cond-mat/0309111.
37. R. van Leeuwen and Baerends, Phys. Rev. A 49, 2421 (1994).
38. S. Salomonson and P. Öster, Phys. Rev. A 40, 5559 (1989).
39. S. Salomonson, F. Möller, and I. Lindgren (unpublished).
40. K. K. Harbola and V. Sahni, Phys. Rev. Lett. 62, 489 (1989).
41. Y. Wang and R. G. Parr, Phys. Rev. A 47, R1591 (1993).
42. Q. Zhao, R. C. Morrison, and R. G. Parr, Phys. Rev. A 50, 2138 (1994).
43. A. Holas and H. N. March, Phys. Rev. A 51, 2040 (1995).
44. O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, J. Chem. Phys. 104, 8535 (1996).
45. D. J. Tozer, N. C. Handy, and W. H. Green, Chem. Phys. Lett. 273, 183 (1997).
46. S. Goedecker and C. J. Umrigar, Phys. Rev. Lett. 81, 866 (1998).
47. M. K. Harbola, Phys. Rev. A 57, 4253 (1998).
48. M. K. Harbola, Phys. Rev. B 60, 4545 (1999).
49. M. K. Harbola, Phys. Rev. A 69, 042512 (2004).
50. A. Görling, Phys. Rev. A 59, 3359 (1999).
51. M. Levy and A. Nagy, Phys. Rev. Lett. 83, 4361 (1999).
52. R. K. Nesbet and R. Colle, Phys. Rev. A 61, 012503 (1999).
53. R. K. Nesbet and R. Colle, J. Math. Chem. 26, 233 (1999).
54. R. K. Nesbet, Int. J. Quantum Chem. 85, 405 (2001).
55. J. D. Talman and W. S. Shadwick, Phys. Rev. A 14, 36 (1976).