Theoretical study of finite-temperature spectroscopy in van der Waals clusters. II. Time-dependent absorption spectra

Journal of Chemical Physics

Volumn 118, Issue 19, 2003, Pages 8754-8762

  Calvo, F ^a   Spiegelman, F ^a   Wales, D J ^b  

^a European Theoretical Spectroscopy Facility   (France)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; DIFFERENTIAL EQUATIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; FUNCTIONS; POTENTIAL ENERGY; QUANTUM THEORY; RATE CONSTANTS; RELAXATION PROCESSES; STATISTICAL MECHANICS; SURFACES; VAN DER WAALS FORCES;

APPROXIMATE PARTITION FUNCTIONS; FINITE TEMPERATURE SPECTROSCOPY; MASTER EQUATION; STATISTICAL RELAXATION; TIME DEPENDENT ABSORPTION SPECTRA; VAN DER WAALS CLUSTERS;

CALCIUM COMPOUNDS;

EID: 0038386023     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1566951     Document Type: Article

References (43)

1. J. Jortner, Z. Phys. D: At., Mol. Clusters 24, 247 (1992).
2. M. Y. Hahn and R. L. Whetten, Phys. Rev. Lett. 61, 1190 (1988).
3. U. Even, N. Ben-Horin, and J. Jortner, Phys. Rev. Lett. 62, 140 (1989).
4. M. R. Ghayal and E. Curotto, J. Chem. Phys. 111, 5522 (1999).
5. M. Moseler, H. Hakkinen, and U. Landman, Phys. Rev. Lett. 87, 053401 (2001).
6. F. Calvo, F. Speigelman, and M.-C. Heitz, J. Chem. Phys. 118, 8739 (2003) (preceding paper).
7. F. Calvo, J. P. K. Doye, and D. J. Wales, J. Chem. Phys. 114, 7312 (2001).
8. M. A. Miller, J. P. K. Doye, and D. J. Wales, Phys. Rev. E 60, 3701 (1999).
9. R. E. Kunz and R. S. Berry, Phys. Rev. Lett. 74, 3951 (1995)
10. R. E. Kunz and R. S. Berry, J. Chem. Phys. 103, 1904 (1995).
11. J. P. K. Doye, M. A. Miller, and D. J. Wales, J. Chem. Phys. 110, 6896 (1999).
12. D. J. Wales, Mol. Phys. 100, 3285 (2002).
13. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 111, 11070 (1999).
14. R. R. Hudgins, P. Dugourd, J. M. Tenenbaum, and M. F. Jarrold, Phys. Rev. Lett. 78, 4213 (1997).
15. M. Maier-Borst, D. B. Cameron, M. Rokni, and J. H. Parks, Phys. Rev. A 59, R3162 (1999).
16. S. Kruckeberg, D. Schooss, M. Maier-Borst, and J. H. Parks, Phys. Rev. Lett. 85, 4494 (2000).
17. D. J. Wales, J. P. K. Doye, M. A. Miller, P. N. Mortenson, and T. R. Walsh, Adv. Chem. Phys. 115, 1 (2000).
18. O. M. Becker and M. Karplus, J. Chem. Phys. 106, 1495 (1997).
19. H. Wadi and E. Pollak, J. Chem. Phys. 110, 11890 (1999).
20. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (North-Holland, Amsterdam, 1981).
21. R. E. Kunz, Dynamics of First-Order Phase Transitions (Deutsch, Thun, 1995).
22. O. K. Rice and H. C. Ramsperger, J. Am. Chem. Soc. 49, 1616 (1927).
23. O. K. Rice and H. C. Ramsperger, J. Am. Chem. Soc. 50, 617 (1928).
24. L. S. Kassel, J. Phys. Chem. 32, 225 (1928).
25. R. A. Marcus, J. Chem. Phys. 20, 359 (1952).
26. G. M. Wieder and R. A. Marcus, J. Chem. Phys. 37, 1835 (1962).
27. R. A. Marcus, J. Chem. Phys. 43, 2658 (1965).
28. C. J. Cerjan and W. H. Miller, J. Chem. Phys. 75, 2800 (1981).
29. G. Mills and H. Jónsson, Phys. Rev. Lett. 72, 1124 (1994).
30. H. Jónsson, G. Mills, and K. W. Jacobsen, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccoti, and D. F. Coker (World Scientific, Singapore, 1998).
31. G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000).
32. G. Henkelman and H. Jónsson, J. Chem. Phys. 113, 9978 (2000).
33. G. Henkelman and H. Jónsson, J. Chem. Phys. 115, 9657 (2001).
34. P. Maragakis, S. A. Andreev, Y. Brumer, D. R. Reichman, and E. Kaxiras, J. Chem. Phys. 117, 4651 (2002).
35. L. J. Munro and D. J. Wales, Phys. Rev. B 59, 3969 (1999).
36. Y. Kumeda, L. J. Munro, and D. J. Wales, Chem. Phys. Lett. 341, 185 (2001).
37. D. J. Wales, OPTIM: A program for optimizing geometries and calculating reaction pathways, version 2.3 (University of Cambridge, Cambridge, England, 2002).
38. M. A. Gaveau, M. Briant, P. R. Fournier, J. M. Mestdagh, J. P. Visticot, F. Calvo, S. Baudrand, and F. Spiegelman, Eur. Phys. J. D 21, 153 (2002).
39. C. J. Burnham, S. S. Xantheas, M. A. Miller, B. E. Applegate, and R. E. Miller, J. Chem. Phys. 117, 1109 (2002).
40. D. J. Wales, M. A. Miller, and T. R. Walsh, Nature (London) 394, 758 (1998).
41. J. P. K. Doye and D. J. Wales, Phys. Rev. B 59, 2292 (1999).
42. S. Krivov and M. Karplus, J. Chem. Phys. 117, 10894 (2002).
43. D. A. Evans and D. J. Wales, J. Chem. Phys. 118, 3891 (2003).