Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation

Journal of Chemical Physics

Volumn 129, Issue 8, 2008, Pages

  Tremblay, Jean Christophe ^a   Klamroth, Tillmann ^a   Saalfrank, Peter ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER NETWORKS; DYNAMICS; ELECTRONIC STATES; LASER PULSES; LASERS; MATRIX ALGEBRA; POLYNOMIAL APPROXIMATION;

FEMTO-SECONDS; TIME-DEPENDENT;

PULSED LASER APPLICATIONS;

EID: 50849127449     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2972126     Document Type: Article

References (40)

1. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (Dover, Mineola, 1996).
2. P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 10.1103/PhysRev.136.B864 136, B864 (1964).
3. W. Kohn and L. Sham, Phys. Rev. 0096-8250 10.1103/PhysRev.140.A1133 140, A1133 (1965).
4. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
5. S. K. Ghosh and A. K. Dhara, Phys. Rev. A 38, 1149 (1988).
6. M. Di Ventra and R. D'Agosta, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.226403 98, 226403 (2007).
7. M. Di Ventra and R. D'Agosta, e-print arXiv:cond-mat/08053734.
8. K. C. Kulander, Phys. Rev. A 1050-2947 10.1103/PhysRevA.36.2726 36, 2726 (1987).
9. T. Klamroth, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.245421 68, 245421 (2003).
10. M. Nest, T. Klamroth, and P. Saalfrank, J. Chem. Phys. 0021-9606 10.1063/1.1862243 122, 124102 (2005).
11. J. Zanghellini, M. Kitzler, C. Fabian, T. Brabec, and A. Scrinzi, Laser Phys. 13, 1064 (2003). 1054-660X
12. T. Kato and H. Kono, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2004. 05.106 392, 533 (2004).
13. C. Huber and T. Klamroth, Appl. Phys. A: Mater. Sci. Process. 81, 91 (2004).
14. P. Saalfrank, T. Klamroth, C. Huber, and P. Krause, Isr. J. Chem. 0021-2148 10.1560/NM0D-WWP5-VPHU-QMTP 45, 205 (2005).
15. P. Krause, T. Klamroth, and P. Saalfrank, J. Chem. Phys. 0021-9606 10.1063/1.1999636 123, 074105 (2005).
16. T. Klamroth, J. Chem. Phys. 0021-9606 10.1063/1.2185633 124, 144310 (2006).
17. S. Klinkusch, T. Klamroth, and P. Saalfrank (unpublished).
18. A. Thon, M. Merschdorf, W. Pfeiffer, T. Klamroth, P. Saalfrank, and D. Diesing, Appl. Phys. A: Mater. Sci. Process. 78, 189 (2004).
19. H. Schlegel, S. Smith, and X. Li, J. Phys. Chem. 126, 244110 (2007). 0022-3654
20. V. Gorini, A. Kossakowski, and E. C. G. Sudarshan, J. Math. Phys. 0022-2488 10.1063/1.522979 17, 821 (1976).
21. V. Gorini and A. Kossakowski, J. Math. Phys. 0022-2488 10.1063/1.523057 17, 1298 (1976).
22. G. Lindblad, Commun. Math. Phys. 0010-3616 10.1007/BF01608499 48, 119 (1976).
23. R. Kosloff, M. Ratner, and W. B. Davis, J. Chem. Phys. 0021-9606 10.1063/1.473726 106, 7036 (1997).
24. D. M. Lockwood, M. Ratner, and R. Kosloff, Chem. Phys. 0301-0104 10.1016/S0301-0104(01)00306-8 268, 55 (2001).
25. E. A. Weiss, G. Katz, R. H. Goldsmith, M. R. Wasielewski, M. Ratner, R. Kosloff, and A. Nitzan, J. Chem. Phys. 0021-9606 10.1063/1.2168457 124, 074501 (2006).
26. M. Head-Gordon, R. J. Rico, M. Oumi, and T. J. Lee, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00070-0 219, 21 (1994).
27. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, Jr., J. Comput. Chem. 14, 1347 (1993).
28. Upon energy sorting, we find one more nondegenerate state at 0.263698 Eh than in Ref.. The total number of states and their energies being the same, we attribute this difference to wrong energy ordering. The conclusions presented by the authors remain valid as they merely rely on energy ordering for state labeling. The states 7〉 and 8〉 in Ref. thus corresponds to states 8〉 and 9〉 used here.
29. K. Blum, Density Matrix Theory and Applications (Plenum, New York, 1996).
30. P. Saalfrank, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr0501691 106, 4116 (2006).
31. W. H. Press, S. A. S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN 77 The Art of Scientific Programming (Cambridge University Press, Cambridge, 1986).
32. J. C. Tremblay and T. Carrington, Jr., J. Chem. Phys. 0021-9606 10.1063/1.1814103 121, 11535 (2004).
33. B. Brüggemann, T. Pullerits, and V. May, J. Photochem. Photobiol., A 190, 372 (2007).
34. M. Quack, J. Chem. Phys. 0021-9606 10.1063/1.436667 69, 1282 (1978).
35. L. Seidner, G. Stock, and W. Domcke, J. Chem. Phys. 0021-9606 10.1063/1.469586 103, 3998 (1995).
36. B. Wolfseder, L. Seidner, G. Stock, and W. Domcke, Chem. Phys. 0301-0104 10.1016/S0301-0104(97)00046-3 217, 275 (1997).
37. P. Krause, T. Klamroth, and P. Saalfrank, J. Chem. Phys. 127, 034107 (2007).
38. Y. Ohtsuki, K. Nakagami, W. Zhu, and H. Rabitz, Chem. Phys. 0301-0104 10.1016/S0301-0104(02)00991-6 287, 197 (2003).
39. S. Beyvers, Y. Ohtsuki, and P. Saalfrank, J. Chem. Phys. 0021-9606 10.1063/1.2206593 124, 234706 (2006).
40. H. Petek, M. Weida, H. Nagano, and S. Ogawa, Science 0036-8075 10.1126/science.288.5470.1402 288, 1402 (2000).