Time-dependent density-functional theory beyond the adiabatic approximation: Insights from a two-electron model system

Journal of Chemical Physics

Volumn 125, Issue 23, 2006, Pages

  Ullrich, C A ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC LOCAL DENSITY APPROXIMATION (ALDA); ELECTRON DYNAMICS; NONADIABATIC EXTENSION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

APPROXIMATION THEORY; CORRELATION METHODS; ELECTRIC EXCITATION; ELECTRONS; GROUND STATE; QUANTUM THEORY; THERMODYNAMICS;

PROBABILITY DENSITY FUNCTION;

EID: 33845748088     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2406069     Document Type: Article

References (37)

1. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
2. 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).
3. F. Furche and K. Burke, in Annual Reports in Computational Chemistry, edited by, D. Spellmeyer, (Elsevier, Amsterdam, 2005), Vol. 1, p. 19.
4. N. T. Maitra, F. Zhang, R. J. Cave, and K. Burke, J. Chem. Phys. 120, 5932 (2004).
5. N. T. Maitra, J. Chem. Phys. 122, 234104 (2005).
6. C. A. Ullrich and I. V. Tokatly, Phys. Rev. B 73, 235102 (2006).
7. G. Vignale and W. Kohn, Phys. Rev. Lett. 77, 2037 (1996).
8. J. F. Dobson, M. J. Bünner, and E. K. U. Gross, Phys. Rev. Lett. 79, 1905 (1997).
9. G. Vignale, C. A. Ullrich, and S. Conti, Phys. Rev. Lett. 79, 4878 (1997).
10. 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).
11. 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).
12. Y. Kurzweil and R. Baer, J. Chem. Phys. 121, 8731 (2004).
13. 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).
14. 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).
15. 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).
16. 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).
17. M. van Faassen, Int. J. Mod. Phys. B 20, 3419 (2006).
18. H. O. Wijewardane and C. A. Ullrich, Phys. Rev. Lett. 95, 086401 (2005).
19. R. D'Agosta and G. Vignale, Phys. Rev. Lett. 96, 016405 (2006).
20. B. Tanatar and D. M. Ceperley, Phys. Rev. B 39, 5005 (1989).
21. C. Attaccalite, S. Moroni, P. Gori-Giorgi, and G. B. Bachelet, Phys. Rev. Lett. 88, 256601 (2002).
22. Z. Qian and G. Vignale, Phys. Rev. B 65, 235121 (2002).
23. A. Holas and K. S. Singwi, Phys. Rev. B 40, 158 (1989).
24. 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).
25. 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).
26. I. D'Amico and G. Vignale, Phys. Rev. B 59, 7876 (2001).
27. C. Filippi, C. J. Umrigar, and M. Taut, J. Chem. Phys. 100, 1290 (1994).
28. In the presence of time-dependent external potentials, the definition of a time-dependent energy is less obvious since the associated many-body Hamiltonian no longer represents the energy operator of the system. See A. Böhm, Quantum Mechanics, 3rd ed. (Springer, New York, 2001).
29. In the presence of time-dependent external potentials, the definition of a time-dependent energy is less obvious since the associated many-body Hamiltonian no longer represents the energy operator of the system. See A. Böhm, Quantum Mechanics, 3rd ed. (Springer, New York, 2001).
30. S. K. Ghosh and A. K. Dhara, Phys. Rev. A 38, 1149 (1988).
31. G. Vignale, Phys. Rev. B 70, 201102 (2004).
32. N. T. Maitra, K. Burke, and C. Woodward, Phys. Rev. Lett. 89, 023002 (2002).
33. 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).
34. 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).
35. P. Hessler, N. T. Maitra, and K. Burke, J. Chem. Phys. 117, 72 (2002).
36. C. A. Ullrich and K. Burke, J. Chem. Phys. 121, 28 (2004).
37. C. A. Ullrich, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 74, 872 (1995).