Physics of transformation from Schrödinger theory to Kohn-Sham density-functional theory: Application to an exactly solvable model

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 57, Issue 4, 1998, Pages 2527-2538

  Qian, Zhixin ^a,b   Sahni, Viraht ^a,b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001514048     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.57.2527     Document Type: Article

References (52)

1. E. Schrödinger, Ann. Phys. (N.Y.) 79, 361 (1926); APNYA2
2. Ann. Phys. (N.Y.)E. Schrödinger79, 489 (1926);
3. Ann. Phys. (N.Y.)E. Schrödinger79, 734 (1926);
4. Ann. Phys. (N.Y.)E. Schrödinger80, 437 (1926);
5. Ann. Phys. (N.Y.)E. Schrödinger81, 109 (1926).
6. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); PVRBAK
7. Phys. Rev.W. Kohn and L. J. Sham, 140, A1133 (1965).
8. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989);
9. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer-Verlag, Berlin, 1990);
10. N. H. March, Electron Density Theory of Atoms and Molecules (Academic, London, 1992).
11. M. Levy, Proc. Natl. Acad. Sci. USA 76, 6062 (1979); PNASA6
12. M. LevyPhys. Rev. A 26, 1200 (1982);E. H. Lieb, in Density Functional Methods in Physics, Vol. 123 of NATO Advanced Study Institute Series B: Physics, edited by R. M. Dreizler and J. da Providencia (Plenum, New York, 1985).
13. V. Sahni, Phys. Rev. A 55, 1846 (1997).PLRAAN
14. V. Sahni, in Density Functional Theory III, edited by R. Nalewajski, Topics in Current Chemistry Vol. 182 (Springer-Verlag, Heidelberg, 1996).
15. M. K. Harbola and V. Sahni, Phys. Rev. Lett. 62, 489 (1989); PRLTAO
16. V. Sahni and M. K. Harbola, Int. J. Quantum Chem. Quantum Biol. Symp. 24, 569 (1990); IJQBDZ
17. M. K. Harbola and V. Sahni, J. Chem. Educ. 70, 920 (1993).JCEDA8
18. A. Holas and N. H. March, Phys. Rev. A 51, 2040 (1995).PLRAAN
19. N. R. Kestner and O. Sinanoglu, Phys. Rev. 128, 2687 (1962).PHRVAO
20. S. Kais, D. R. Herschbach, and R. D. Levine, J. Chem. Phys. 91, 7791 (1989).JCPSA6
21. M. Taut, Phys. Rev. A 48, 3561 (1993).PLRAAN
22. A. Samanta and S. K. Ghosh, Phys. Rev. A 42, 1178 (1990); PLRAAN
23. S. K. Ghosh and A. Samanta, J. Chem. Phys. 94, 517 (1991); JCPSA6
24. A. Samanta and S. K. Ghosh, Chem. Phys. Lett. 180, 121 (1991).CHPLBC
25. R. J. White and W. Byers Brown, J. Chem. Phys. 53, 3869 (1970); JCPSA6
26. J. Chem. Phys.J. M. Benson and W. Byers Brown, 53, 3880 (1970);
27. J. Chem. Phys.D. Fu-Tai Tuan, 50, 2740 (1969);
28. U. Merkt, J. Huser, and M. Wagner, Phys. Rev. B 43, 7320 (1991).PRBMDO
29. D. W. Smith, S. Jagannathan, and G. S. Handler, Int. J. Quantum Chem. Quantum Biol. Symp. 13, 103 (1979); IJQBDZ
30. P. M. Laufer and J. B. Krieger, Phys. Rev. A 33, 1480 (1986); PLRAAN
31. R. W. Hall, J. Phys. Chem. 93, 5628 (1989); JPCHAX
32. S. Kais, D. R. Herschbach, N. C. Handy, C. W. Murray, and G. J. Laming, J. Chem. Phys. 99, 417 (1993); JCPSA6
33. J. Chem. Phys.C. Filippi, C. J. Umrigar, and M. Taut, 100, 1290 (1994);
34. K. Burke, J. P. Perdew, and D. C. Langreth, Phys. Rev. Lett. 73, 1283 (1994); PRLTAO
35. 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, 1994);
36. K. Burke, J. C. Angulo, and J. P. Perdew, Phys. Rev. A 50, 297 (1994); PLRAAN
37. Phys. Rev. AM. Taut, 53, 3143 (1996).
38. T. Kato, Commun. Pure Appl. Math. 10, 151 (1957).CPAMAT
39. T. Pang, C. E. Campbell, and E. Krotscheck, Chem. Phys. Lett. 163, 537 (1989); CHPLBC
40. C. E. Campbell, E. Krotscheck, and T. Pang, Phys. Rep. 223, 1 (1992).PRPLCM
41. M. Slamet and V. Sahni, Phys. Rev. A 51, 2815 (1995).PLRAAN
42. C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).PLRAAN
43. J. C. Slater, Phys. Rev. 81, 385 (1951).PHRVAO
44. Z. Qian and V. Sahni, Phys. Rev. A (to be published).
45. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).PLRAAN
46. M. Levy and N. H. March, Phys. Rev. A 55, 1885 (1997).PLRAAN
47. A. Solomatin and V. Sahni, Int. J. Quantum Chem. Quantum Biol. Symp. 31, 893 (1997).IJQBDZ
48. C.-O. Almbladh and U. von Barth, Phys. Rev. B 31, 3231 (1985).PRBMDO
49. V. Sahni, Prog. Surf. Sci. 54, 115 (1997); PSSFBP
50. A. Solomatin and V. Sahni, Phys. Rev. B 56, 3655 (1997); PRBMDO
51. A. Solomatin and V. Sahni, Ann. Phys. (N.Y.) 259, 97 (1997).APNYA6
52. J. Spanier and K. B. Oldham, An Atlas of Functions (Hemisphere Publishing Corporation, New York, 1987).