Scaling the spin densities separately in density-functional theory

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 66, Issue 2, 2002, Pages

  Magyar, R J ^a   Whittingham, T K ^a   Burke, K ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; ELECTRON ENERGY LEVELS; ELECTRON GAS;

DENSITY FUNCTIONAL THEORY; FINITE SYSTEMS; SPIN DENSITY; SPIN SCALING;

ATOMIC PHYSICS;

EID: 0036702405     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.66.022105     Document Type: Article

References (39)

1. W. Kohn, Rev. Mod. Phys. 71, 1253 (1999).
2. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
3. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
4. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
5. 78, 1396(E) (1997). (1997).
6. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
7. M. Levy, Phys. Rev. A 43, 4637 (1991).
8. Q. Zhao, M. Levy, and R. Parr, Phys. Rev. A 47, 918 (1993).
9. M. Levy and A. Görling, Int. J. Quantum Chem. 56, 385 (1995).
10. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
11. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
12. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
13. F. G. Cruz, K. C. Lam, and K. Burke, J. Phys. Chem. A 102, 4911 (1998).
14. U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
15. A. K. Rajagopal and J. Calloway, Phys. Rev. B 7, 1912 (1973).
16. K. Capelle and G. Vignale, Phys. Rev. Lett. 86, 5546 (2001).
17. B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys. 98, 5612 (1993).
18. S. Matar and A. Mavromaras, J. Solid State Chem. 149, 449 (2000).
19. D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975).
20. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976).
21. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
22. K. Burke, M. Ernzerhof, and J. P. Perdew, Chem. Phys. Lett. 265, 115 (1997).
23. J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996).
24. Y. A. Wang, Phys. Rev. A 56, 1646 (1997).
25. K. Burke, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1997), p. 19.
26. J. P. Perdew and S. Kurth, in Density Functionals: Theory and Applications, edited by D. Joubert (Springer, Berlin, 1998).
27. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
28. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
29. C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).
30. D. Frydel, W. Terilla, and K. Burke, J. Chem. Phys. 112, 5292 (2000).
31. E. Davidson, S. Hagstrom, S. Chakravorty, V. Umar, and F. Fischer, Phys. Rev. A 44, 7071 (1991).
32. R. Morrison and Q. Zhao, Phys. Rev. A 51 1980 (1995).
33. K. Burke, J. P. Perdew, and M. Ernzerhof, in Electronic Density Functional Theory: Recent Progress and New Directions (Ref. [24]), p. 57.
34. A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994).
35. P. Süle, Chem. Phys. Lett. 259, 69 (1996).
36. K. Burke, F. G. Cruz, and K. C. Lam, J. Chem. Phys. 109, 8161 (1998).
37. A. Görling and M. Levy, Phys. Rev. A 45, 1509 (1992).
38. K. Burke, J. P. Perdew, and M. Levy, in Modern Density Functional Theory: A Tool for Chemistry, edited by J. M. Seminario and P. Politzer (Elsevier, Amsterdam, 1995).
39. A. Nagy, Int. J. Quantum Chem. 49, 353 (1994).