Next generation of ab initio energy density functionals: Thoughts and facts from solvable models

International Journal of Quantum Chemistry

Volumn 101, Issue 5, 2005, Pages 494-505

  March, N H ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Ab initio density functionals; Kinetic energy; Slater exchange; Solvable models

Indexed keywords

ELECTRONS; FERMI LEVEL; GROUND STATE; KINETIC ENERGY; MATHEMATICAL MODELS; POTENTIAL ENERGY; TECHNICAL PRESENTATIONS;

AB INITIO DENSITY FUNCTIONALS; SLATER EXCHANGE; SOLVABLE MODELS; UNIVERSITY OF ANTWERP;

PROBABILITY DENSITY FUNCTION;

EID: 13844281730     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20304     Document Type: Conference Paper

References (62)

1. Thomas, L. H. Proc Camb Phil Soc 1926, 23, 542.
2. Fermi, E. Zeits Phys 1928, 48, 73.
3. Dirac, P. A. M. Proc Camb Phil Soc 1930, 26, 376.
4. von Weizsäcker, C. F. Zeits Phys 1935, 96, 431.
5. Gombas, P. Die Statistische Theories des Atoms und ihr Anwendungen; Springer: Vienna, 1949.
6. March, N. H. Adv Phys 1957, 7, 1.
7. Teller, E. Rev Mod Phys 1962, 34, 627.
8. Mucci, J. F.; March, N. H. J Chem Phys 1983, 6187.
9. March, N. H. J Phys 1994, B27, 101.
10. Slater, J. C.; Knitter, H. M. Phys Rev 1935, 47, 559.
11. Feynman, R. P.; Metropolis, N.; Teller, E. Phys Rev 1949, 75, 1561.
12. Slater, J. C. Phys Rev 1951, 81, 385.
13. Gáspár, R.: see reviews in J Mol Struct Theochem 2000, 501-502.
14. Hohenberg, P. C.; Kohn, W. Phys Rev B 1964, 136, 864.
15. Kohn, W.; Sham, L. J. Phys Rev 1965, 140, A1133.
16. Howard, I. A.; March, N. H.; Nieto, L. M. Phys Rev A 2002, 66, 054501.
17. Hulthen, L. Zeits Phys 1935, 95, 789.
18. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: Oxford, 1989.
19. Levy, M.; March, N. H. Phys Rev A 1997, 55, 1885.
20. Ludena, F.; Valderrama, E.; Hinze, J. J Chem Phys 1997, 106, 9227.
21. Madden, P. A.; Smargiassi, E. Phys Rev 1994, 49, 5220.
22. See Colonna, F.; Savin, A. J Chem Phys 1999, 110, 2828.
23. See e.g. Wang, L. W.; Teter, M. P. Phys Rev B 1992, 45, 13196.
24. Görling, A. Phys Rev A 1996, 54, 3912.
25. Holas, A. (private communication).
26. Howard, I. A.; March, N. H.; Senet, P.; Van Doren, V. E. Phys Rev A 2000, 62, 062512.
27. March, N. H. Phys Rev 1987, A36, 5077.
28. Howard, I. A.; March, N. H. (to appear).
29. Kleinman, L. Phys Rev B 1994, 49, 14197.
30. Holas, A.; March, N. H. Phys Rev B 1997, 55, 1295.
31. Nagy, À. Phys Rev A 1997, 55, 3465.
32. Howard, I. A.; March, N. H. J Chem Phys 2003, 119, 5789.
33. Delia Sala, F.; Görling, A. J Chem Phys 2001, 115, 5718.
34. Levy, M.; Perdew, J. P. Phys Rev A 1985, 32, 2010.
35. Colle, R.; Salvetti, O. Theor Chim Acta 1975, 37, 329.
36. Kestner, N. R.; Sinanoglu, O. Phys Rev 1962, 128, 2687.
37. Lawes, G. P.; March, N. H. J Chem Phys 1979, 71, 1007.
38. March, N. H.; Gál, T.; Nagy, À. Chem Phys Lett 1998, 292, 384.
39. Kais, S.; Herschbach, D. R.; Levine, R. D. J Chem Phys 1989, 91, 7791.
40. Taut, M. Phys Rev 1993, A48, 3561.
41. Holas, A.; March, N. H. Phys Rev A 1995, 51, 2040.
42. March, N. H.; Amovilli, C.; Klein, D. J. Chem Phys Lett 2000, 325, 645.
43. Gál, T.; March, N. H.; Nagy, À. Chem Phys Lett 1999, 305, 429.
44. Hall, G. G.; Jones, L. L.; Rees, D. Proc Roy Soc 1965, A283, 1393.
45. Amovilli, C.; March, N. H. Phys Rev A 2003, 67, 022509.
46. Hall, G. G. Adv Quantum Chem 1964, 1, 241.
47. Holas, A.; March, N. H. J Math Chem 2003.
48. Cornell, E. A.; Wieman, C. E. Rev Mod Phys 2002, 74, 875.
49. Ketterle, W. Rev Mod Phys 2002, 74, 1131.
50. DeMarco, B.; Jin, D. S. Science 1999, 285, 1703.
51. Holland, M. J.; DeMarco, B.; Jin, D. S. Phys Rev 2000, A61, 053610.
52. Schreck, F.; Ferrari, G.; Corwin, K. L.; Cubizolles, J.; Khaykovich, L.; Mewes, M.-O.; Salomon, C. Phys Rev 2000, A64, 011402.
53. Truscott, A. G.; Strecker, K. E.; McAlexander, W. I.; Partridge, G. B.; Hulet, R. G. Science 2001, 291, 2570.
54. Minguzzi, A.; March, N. H.; Tosi, M. P. Europhys J 2001, D15, 315.
55. March, N. H.; Senet, P.; Van Doren, V. E. Phys Lett 2000, A270, 88.
56. March, N. H.; Nieto, L. M. Phys Rev A 2001, 63, 044502.
57. March, N. H.; Howard, I. A.; Holas, A.; Senet, P.; Van Doren, V. E. Phys Rev A 2001, 63, 012520.
58. Kato, T. Commun Pure Appl Math 1957, 10, 151.
59. Bingel, W. A. Z Naturforsch 1963, A18, 1249.
60. Davidson, E. R. Reduced Density Matrices in Quantum Chemistry; Academic: New York, 1976.
61. Harris, J.; Jones, R. O. J Phys Metal Phys 1974, F4, 1170.
62. See also Levy, M.; March, N. H.; Handy, N. C. J Chem Phys 1996, 104, 1989.