Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions

Journal of Chemical Physics

Volumn 123, Issue 21, 2005, Pages

  Gindensperger, Etienne ^a,b   Meier, Christoph ^a   Beswick, J Alberto ^a   Parlant, Ǵrard ^a  

^a CNRS   (France)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIRECT DISSOCIATION PROCESSES; LAGRANGIAN REFERENCE FRAME; MOVING-GRID METHODS; QUANTUM-DYNAMICS;

ELECTRON TRANSITIONS; LAGRANGE MULTIPLIERS; LASER PULSES; MATHEMATICAL MODELS; PHOTODISSOCIATION; QUANTUM THEORY; REACTION KINETICS; ULTRAVIOLET RADIATION;

DISSOCIATION;

EID: 28844481111     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2114807     Document Type: Article

References (55)

1. Time-Dependent Quantum Molecular Dynamics, edited by, J. Broeckhove, and, L. Lathouwers, NATO Advanced Studies Institute, Series B: Phyiscs (Plenum, New York, 1992), Vol. 299.
2. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
3. Numerical Grid Methods and Their Applications to Schrödinger Equation, edited by, C. Cerjan, NATO Advanced Studies Institute Series C. Mathematical and Physical sciences (Kluwer Academic, Dordrecht, 1993), Vol. 412.
4. Dynamics of Molecules and Chemical Reactions, edited by, R. E. Wyatt, and, J. Z. H. Zhang, (Marcel Dekker, New York, 1996).
5. E. Heller and N. Henriksen, Chem. Phys. Lett. 148, 567 (1988).
6. V. Engel and H. Metiu, J. Chem. Phys. 89, 1986 (1988).
7. V. Engel and H. Metiu, J. Chem. Phys. 92, 2317 (1990).
8. V. Engel, Comput. Phys. Commun. 63, 228 (1991).
9. C. Meier and V. Engel, in Femtosecond Chemistry, edited by, J. Manz, and, L. Wöste, (Wiley-VCH, Weinheim, 1995).
10. R. Schinke, Photodissociation Dynamics (Cambridge University Press, Cambridge, 1993).
11. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
12. R. C. Brown and E. J. Heller, J. Chem. Phys. 75, 186 (1981).
13. G. Drolshagen and E. J. Heller, J. Chem. Phys. 82, 226 (1985).
14. T. J. Martinez and M. Ben-Nun, J. Chem. Phys. 104, 2847 (1996).
15. T. J. Martinez and M. Ben-Nun, J. Chem. Phys. 100, 7884 (1996).
16. M. Ben-Nun and T. J. Martinez, J. Chem. Phys. 108, 7244 (1998).
17. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
18. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992).
19. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, in Numerical Grid Methods and their Application to Schrödinger's Equation, edited by, C. Cerjan, (Kluwer Academic, Dordrecht, 1993), pp. 141-152.
20. T. Wu, H.-J. Werner, and U. Manthe, Science 306, 2227 (2004).
21. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
22. C. L. Lopreore and R. E. Wyatt, Phys. Rev. Lett. 82, 5190 (1999).
23. R. E. Wyatt, C. L. Lopreore, and G. Parlant, J. Chem. Phys. 114, 5113 (2001).
24. R. E. Wyatt, J. Chem. Phys. 117, 9569 (2002).
25. C. J. Trahan and R. E. Wyatt, J. Chem. Phys. 118, 4784 (2003).
26. R. E. Wyatt, Quantum Dynamics with Trajectories: Introduction to Quantum Hydrodynamics (Springer, New York, 2005).
27. C. L. Lopreore and R. E. Wyatt, J. Chem. Phys. 116, 1228 (2002).
28. O. Dulieu, R. Kosloff, F. Masnou-Seeuws, and G. Pichler, J. Chem. Phys. 107, 10633 (1997).
29. V. Kokoouline, O. Dulieu, R. Kosloff, and F. Masnou-Seeuws, J. Chem. Phys. 110, 9865 (1999).
30. D. Babyuk and R. E. Wyatt, J. Chem. Phys. 121, 9230 (2004).
31. D. Babyuk and R. E. Wyatt, Chem. Phys. Lett. 387, 227 (2004).
32. B. K. Kendrick, J. Chem. Phys. 119, 5805 (2003).
33. D. K. Pauler and B. K. Kendrick, J. Chem. Phys. 120, 603 (2004).
34. K. H. Hugues and R. E. Wyatt, Phys. Chem. Chem. Phys. 5, 3905 (2003).
35. C. J. Trahan, K. Hughes, and R. E. Wyatt, J. Chem. Phys. 118, 9911 (2003).
36. C. J. Trahan, R. E. Wyatt, and B. Poirier, J. Chem. Phys. 122, 164104 (2005).
37. J. A. Beswick and M. Glass-Maujean, Phys. Rev. A 35, 3339 (1987).
38. W. Kołos and L. Wolniewicz, Can. J. Phys. 53, 2189 (1975).
39. W. Kołos and L. Wolniewicz, J. Mol. Spectrosc. 54, 303 (1975).
40. W. Kołos and J. Rychlewski, J. Mol. Spectrosc. 62, 109 (1976).
41. W. Kołos, J. Mol. Spectrosc. 62, 429 (1976).
42. W. Kołos and L. Wolniewicz, J. Chem. Phys. 45, 509 (1966).
43. A. L. Ford, E. M. Greenawalt, and J. C. Browne, J. Chem. Phys. 67, 983 (1977).
44. W. Kołos and J. Rychlewski, J. Mol. Spectrosc. 88, 1 (1981).
45. L. Wolniewicz, J. Chem. Phys. 78, 6173 (1983).
46. F. Borondo, J. R. Eguiagaray, and A. Riera, J. Phys. B 15, 899 (1982).
47. W. Kołos and L. Wolniewicz, J. Chem. Phys. 51, 5002 (1969).
48. L. Wolniewicz, Chem. Phys. Lett. 31, 248 (1975).
49. A. L. Ford, J. C. Browne, E. J. Shipsey, and P. Deveries, J. Chem. Phys. 63, 362 (1975).
50. M. D. Feit, J. A. Fleck, and A. Steiger, J. Comput. Phys. 47, 412 (1982).
51. J. A. Fleck, J. R. Morris, and M. D. Feit, Appl. Phys. 10, 129 (1976).
52. P. R. Holland, The Quantum Theory of Motion: An Account of the de Broglie-Bohm Causal Interpretation of Quantum Mechanics (Cambridge University Press, Cambridge, 1993).
53. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes: The Art Of Scientific Computing (Cambridge University Press, Cambridge, 1986).
54. F. T. Smith, Phys. Rev. 179, 111 (1969).
55. See, for example, M. S. Child, Atomic and Molecular Collision Theory, NATO Advanced Studies Institute, Series B: Physics, edited by, F. A. Gianturo, (Plenum, New York, 1982), Vol. 71.