Generator coordinate method in time-dependent density-functional theory: Memory made simple

Journal of Chemical Physics

Volumn 127, Issue 12, 2007, Pages

  Orestes, E ^a,b   Capelle, K ^a   Da Silva, A B F ^a   Ullrich, C A ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; HAMILTONIANS; VARIATIONAL TECHNIQUES; WAVE FUNCTIONS;

EXCHANGE-CORRELATION (XC); GENERATOR COORDINATE (GC); MANY-BODY WAVE FUNCTIONS; TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY (TDDFT);

DENSITY FUNCTIONAL THEORY;

EID: 34848818254     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2768368     Document Type: Article

References (58)

1. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
2. M. A. L. Marques and E. K. U. Gross, Annu. Rev. Phys. Chem. 55, 427 (2004).
3. F. Furche and K. Burke, in Annual Reports in Computational Chemistry, edited by, D. Spellmeyer, (Elsevier, Amsterdam, 2005), Vol. 1, p. 19.
4. Time-Dependent Density Functional Theory, Lecture Notes in Physics Vol. 706, edited by, M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and, E. K. U. Gross, (Springer, Berlin, 2006).
5. E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2850 55, 2850 (1985); E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 57, 923 (E) (1986).
6. E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2850 55, 2850 (1985); E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 57, 923 (E) (1986).
7. M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
8. A. Dreuw, J. Weisman, and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
9. N. T. Maitra, F. Zhang, R. J. Cave, and K. Burke, J. Chem. Phys. 120, 5932 (2004).
10. N. T. Maitra, J. Chem. Phys. 122, 234104 (2005).
11. S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining, Rep. Prog. Phys. 70, 357 (2007).
12. C. A. Ullrich and A. D. Bandrauk, in Time-Dependent Functional Theory, Lecture Notes in Physics Vol. 706, edited by, M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and, E. K. U. Gross, (Springer, Berlin, 2000), p. 357.
13. D. N. Fittinghoff, P. R. Bolton, B. Chang, and K. C. Kulander, Phys. Rev. Lett. 69, 2642 (1992).
14. D. Lappas and R. van Leeuwen, J. Phys. B 31, L249 (1998).
15. M. Lein and S. Kümmel, Phys. Rev. Lett. 94, 143003 (2005).
16. M. Mundt and S. Kümmel, Phys. Rev. Lett. 95, 203004 (2005).
17. H. O. Wijewardane and C. A. Ullrich, Phys. Rev. Lett. 95, 086401 (2005).
18. R. D'Agosta and G. Vignale, Phys. Rev. Lett. 96, 016405 (2006).
19. C. A. Ullrich and I. V. Tokatly, Phys. Rev. B 73, 235102 (2006).
20. C. A. Ullrich, J. Chem. Phys. 125, 234108 (2006).
21. G. Vignale and W. Kohn, Phys. Rev. Lett. 77, 2037 (1996).
22. J. F. Dobson, M. J. Bünner, and E. K. U. Gross, Phys. Rev. Lett. 79, 1905 (1997).
23. G. Vignale, C. A. Ullrich, and S. Conti, Phys. Rev. Lett. 79, 4878 (1997).
24. C. A. Ullrich and G. Vignale, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65. 245102 65, 245102 (2002); C. A. Ullrich and G. Vignale, Phys. Rev. B 70, 239903 (E) (2004).
25. C. A. Ullrich and G. Vignale, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65. 245102 65, 245102 (2002); C. A. Ullrich and G. Vignale, Phys. Rev. B 70, 239903 (E) (2004).
26. Y. Kurzweil and R. Baer, J. Chem. Phys. 121, 8731 (2004).
27. I. V. Tokatly, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71.165104 71, 165104 (2005); I. V. Tokatly, Phys. Rev. B 71, 165105 (2005).
28. I. V. Tokatly, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71.165104 71, 165104 (2005); I. V. Tokatly, Phys. Rev. B 71, 165105 (2005).
29. M. van Faassen, P. L. de Boeij, R. van Leeuwen, J. A. Berger, and J. G. Snijders, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.186401 88, 186401 (2002); M. van Faassen, P. L. de Boeij, R. van Leeuwen, J. A. Berger, and J. G. Snijders, J. Chem. Phys. 118, 1044 (2003).
30. M. van Faassen, P. L. de Boeij, R. van Leeuwen, J. A. Berger, and J. G. Snijders, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.186401 88, 186401 (2002); M. van Faassen, P. L. de Boeij, R. van Leeuwen, J. A. Berger, and J. G. Snijders, J. Chem. Phys. 118, 1044 (2003).
31. M. van Faassen, Int. J. Mod. Phys. B 20, 3419 (2006).
32. C. A. Ullrich and G. Vignale, Phys. Rev. Lett. 87, 037402 (2001).
33. C. A. Ullrich and K. Burke, J. Chem. Phys. 121, 28 (2004).
34. D. L. Hill and J. A. Wheeler, Phys. Rev. 89, 1106 (1953).
35. J. J. Griffin and J. A. Wheeler, Phys. Rev. 108, 311 (1957).
36. C. W. Wong, Phys. Rep. 15, 283 (1975).
37. P. Chattopadhyay, R. M. Dreizler, M. Trsic, and M. Fink, Z. Phys. A 285, 7 (1978).
38. B. Johansson and J. da Providencia, Physica B 94, 152 (1978).
39. J. R. Mohallem, R. M. Dreizler, and M. Trsic, Int. J. Quantum Chem. 20, 45 (1986).
40. A. B. F. da Silva, H. M. F. da Costa, and M. Trsic, Mol. Phys. 68, 433 (1989).
41. F. E. Jorge and A. B. F. da Silva, J. Chem. Phys. 104, 6278 (1996).
42. F. E. Jorge and A. B. F. da Silva, J. Chem. Phys. 105, 5503 (1996).
43. O. E. Alon, A. I. Streltsov, and L. S. Cederbaum, Phys. Rev. B 71, 125113 (2005).
44. X.-Y. Pan, V. Sahni, and L. Massa, Phys. Rev. Lett. 93, 130401 (2004).
45. K. Capelle, J. Chem. Phys. 119, 1285 (2003).
46. E. Orestes, A. B. F. da Silva, and K. Capelle (unpublished).
47. N. R. Keisner and O. Sinanoglu, Phys. Rev. 128, 2687 (1962).
48. P. M. Laufer and J. B. Krieger, Phys. Rev. A 33, 1480 (1986).
49. S. Kais, D. R. Herschbach, N. C. Handy, C. W. Murray, and G. J. Laming, J. Chem. Phys. 99, 417 (1993).
50. M. Taut, J. Phys. A 27, 1045 (1994).
51. C. Filippi, C. J. Umrigar, and M. Taut, J. Chem. Phys. 100, 1290 (1994).
52. I. D'Amico and G. Vignale, Phys. Rev. B 59, 7876 (1999).
53. P. Hessler, J. Park, and K. Burke, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.378 82, 378 (1999); P. Hessler, J. Park, and K. Burke, Phys. Rev. Lett. 83, 5184 (E) (1999).
54. P. Hessler, J. Park, and K. Burke, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.378 82, 378 (1999); P. Hessler, J. Park, and K. Burke, Phys. Rev. Lett. 83, 5184 (E) (1999).
55. P. Hessler, N. T. Maitra, and K. Burke, J. Chem. Phys. 117, 72 (2002).
56. M. Petersilka and E. K. U. Gross, Laser Phys. 9, 105 (1999).
57. C. A. Ullrich, J. Mol. Struct.: THEOCHEM 501-502, 315 (2000).
58. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes, 2nd ed. (Cambridge University Press, Cambridge, 1992).