Relations between coordinate and potential scaling in the high-density limit

Journal of Chemical Physics

Volumn 122, Issue 13, 2005, Pages

  Whittingham, Takeyce K ^a,b   Burke, Kieron ^a  

^a RUTGERS UNIVERSITY   (United States)

^b KEAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION ENERGY; HYDROGENIC DENSITY; LOCAL EXPRESSION; POTENTIAL SCALING;

BENCHMARKING; CORRELATION METHODS; ELECTRON ENERGY LEVELS; HYDROGEN; PERTURBATION TECHNIQUES;

DENSITY (SPECIFIC GRAVITY);

EID: 24144463826     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1872832     Document Type: Article

References (42)

1. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford, New York, 1989).
2. W. Koch and M. C. Holthausen, A Chemist's Guide to Density Functional Theory (Wiley-VCH, Weinheim, 2000).
3. J. P. Perdew and S. Kurth, in Density Functionals: Theory and Applications, edited by, D. Joubert, (Springer, Berlin, 1998).
4. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
5. 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.
6. Y. A. Wang, Phys. Rev. A 56, 1646 (1997).
7. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
8. J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996).
9. K. Burke, M. Ernzerhof, and J. P. Perdew, Chem. Phys. Lett. 265, 115 (1997).
10. E. R. Davidson, S. A. Hagstrom, S. J. Chakravorty, V. Meiser Umar, and C. Froese Fischer, Phys. Rev. A 44, 7071 (1991).
11. S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. Froese Fischer, Phys. Rev. A 47, 3649 (1993).
12. E. Engel and R. M. Dreizler, J. Comput. Chem. 20, 31 (1999).
13. C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).
14. C. J. Huang and C. J. Umrigar, Phys. Rev. A 56, 290 (1997).
15. M. Levy, Phys. Rev. A 43, 4637 (1991).
16. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
17. J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981).
18. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997).
20. J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie, Berlin, 1991), p. 11.
21. J. Harris and R. O. Jones, J. Phys. F: Met. Phys. 4, 1170 (1974).
22. D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975).
23. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976).
24. D. C. Langreth and J. P. Perdew, Phys. Rev. B 15, 2884 (1977).
25. A. Görling and M. Levy, Phys. Rev. B 47, 13105 (1993).
26. S. J. Chakravorty and E. R. Davidson, J. Phys. Chem. 100, 6167 (1996).
27. J. Linderberg and H. Shull, J. Mol. Spectrosc. 5, 1 (1960).
28. E. K. U. Gross, M. Petersilka, and T. Grabo, in Chemical Applications of Density Functional Theory, edited by, B. B. Laird, R. B. Ross, and, T. Ziegler, (American Chemical Society, Washington, DC, 1996), p. 42.
29. A. Görling and M. Ernzerhof, Phys. Rev. A 51, 4501 (1995).
30. E. P. Ivanova and U. I. Safronova, J. Phys. B 8, 1591 (1975).
31. S. Ivanov and M. Levy, J. Phys. Chem. A 102, 3151 (1998).
32. S. Ivanov and M. Levy, Theor. Chem. Acc. 103, 117 (1999).
33. D. Frydel, W. H. Terilla, and K. Burke, J. Chem. Phys. 112, 5292 (2000).
34. C. Filippi, X. Gonze, and C. J. Umrigar, in Recent Developments and Applications of Density Functional Theory, edited by, J. M. Seminario, (Elsevier, Amsterdam, 1996).
35. R. C. Morrison and Q. Zhao, Phys. Rev. A 51, 1980 (1995).
36. E. Clementi and C. Roetti, At. Data Nucl. Data Tables 14, 177 (1974).
37. O. Jitrik and C. F. Bunge, Phys. Rev. A 43, 5804 (1991).
38. Q. Zhao and R. G. Parr, Phys. Rev. A 46, 2337 (1992).
39. Q. Zhao and R. G. Parr, J. Chem. Phys. 98, 543 (1992).
40. Q. Zhao, R. C. Morrison, and R. G. Parr, Phys. Rev. A 50, 2138 (1994).
41. I. N. Levine, Quantum Chemistry (Allyn and Bacon, Boston, 1974).
42. V. N. Staroverov, G. E. Scuseria, J. P. Perdew, J. Tao, and E. R. Davidson, Phys. Rev. A 70, 012502 (2004).