Accelerating calculations of ultrafast time-resolved electronic spectra with efficient quantum dynamics methods

Chimia

Volumn 65, Issue 5, 2011, Pages 334-338

  Wehrle, Marius ^a   Šulc, Miroslav ^a   Vaníček, Jiří ^a  

^a INSTITUTE OF CHEMICAL SCIENCES AND ENGINEERING   (Switzerland)

Author keywords

Pump probe; Quantum dynamics; Semiclassical approximation; Split operator method; Stimulated emission

Indexed keywords

EID: 79959353059     PISSN: 00094293     EISSN: None     Source Type: Journal    
DOI: 10.2533/chimia.2011.334     Document Type: Article

References (40)

1. E. J. Heller, Acc. Chem. Res. 1981, 14, 368.
2. M. Buchowiecki, J. Vaníček, J. Chem. Phys. 2010, 132, 194106.
3. T. Zimmermann, J. Vaníček, J. Chem. Phys. 2009, 131, 024111.
4. T. Zimmermann, J. Vaníček, J. Mol. Mod. 2010, 16, 1779.
5. B. Li, C. Mollica, J. Vaníček, J. Chem. Phys. 2009, 131, 041101.
6. T. Zimmermann, J. Ruppen, B. Li, J. Vaníček, Int. J. Quant. Chem. 2010, 110, 2426.
7. J. Vaníček, Phys. Rev. E 2004, 70, 055201.
8. J. Vaníček, Phys. Rev. E 2006, 73, 046204.
9. T. Zimmermann, J. Vaníček, J. Chem. Phys. 2010, 132, 241101.
10. T. Zimmermann, J. Vaníček, 2011, unpublished.
11. H.-D. Meyer, F. Gatti, G. A. Worth, 'Multidimensional Quantum Dynamics: MCTDH Theory and Applications', Wiley-VCH: Weinheim, 2009.
12. C. Lubich, 'From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis', 12 ed., European Mathematical Society, 2008.
13. M. D. Feit, J. A. Fleck, A. Steiger, J. Comput. Phys. 1982, 47, 412.
14. E. Forest, R. D. Ruth, Physica D 1990, 43, 105.
15. H. Yoshida, Phys. Lett. A 1990, 150, 262.
16. M. Suzuki, Phys. Lett. A 1995, 201, 425.
17. A. D. Bandrauk, E. Dehghanian, H. Lu, Chem. Phys. Lett. 2006, 419, 346.
18. T. Prosen, I. Pižorn, J. Phys. A: Math. Gen. 2006, 39, 5957.
19. M. Suzuki, in 'Computer Simulation Studies in Condensed- Matter Physics', Eds. D. P. Landau, K.-K. Mon, H.-B. Schüttler, Springer: Berlin, 1995, Vol. VIII; pp 169.
20. H. F. Trotter, Proc. Amer. Math. Soc. 1959, 10, 545.
21. S. A. Chin, Phys. Lett. A 1997, 226, 344.
22. M. C. Gutzwiller, J. Math. Phys. 1967, 8, 1979.
23. W. H. Miller, J. Chem. Phys. 1970, 53, 3578.
24. W. H. Miller, J. Phys. Chem. A 2001, 105, 2942.
25. E. J. Heller, J. Chem. Phys. 1981, 75, 2923.
26. E. J. Heller, J. Chem. Phys. 1991, 94, 2723.
27. M. F. Herman, E. Kluk, Chem. Phys. 1984, 91, 27.
28. A. R. Walton, D. E. Manolopoulos, Mol. Phys. 1996, 87, 961.
29. S. Mukamel, 'Principles of Nonlinear Optical Spectroscopy', OUP USA, 1999.
30. S. A. Egorov, E. Rabani, B. J. Berne, J. Chem. Phys. 1999, 110, 5238.
31. N. E. Shemetulskis, R. F. Loring, J. Chem. Phys. 1992, 97, 1217.
32. Q. Shi, E. Geva, J. Chem. Phys. 2005, 122, 064506.
33. Y. Li, S. Carter, G. Hirsch, R. J. Buenker, Mol. Phys. 1993, 80, 145.
34. R. Kosloff, H. Tal-Ezer, Chem. Phys. Lett. 1986, 127, 223.
35. R. Baer, R. Kosloff, J. Phys. Chem. 1995, 99, 2534.
36. Widths are approximately equal to (15.73, 11.08), the centre is shifted by (10.8, 3.1) a.u.
37. W. T. Pollard, S. Y. Lee, R. A. Mathies, J. Chem. Phys. 1990, 92, 4012.
38. K. G. Kay, J. Chem. Phys. 1994, 101, 2250.
39. A. R. Walton, D. E. Manolopoulos, Chem. Phys. Lett. 1995, 244, 448.
40. C. Mollica, J. Vaníček, 2011, unpublished.