Analysis of barrier scattering with real and complex quantum trajectories

Journal of Physical Chemistry A

Volumn 111, Issue 41, 2007, Pages 10234-10250

  Rowland, Brad A ^a   Wyatt, Robert E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER SCATTERING; COMPLEX QUANTUM TRAJECTORIES; DERIVATIVE PROPAGATION METHOD (DPM);

ENERGY BARRIERS; GAUSSIAN DISTRIBUTION; GRID COMPUTING; ONE DIMENSIONAL; PROBLEM SOLVING; REAL TIME SYSTEMS;

QUANTUM THEORY;

EID: 35948964757     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072419i     Document Type: Article

References (66)

1. Zhang, J. Z. H. Theory and Application of Quantum Molecular Dynamics; World Scientific: River Edge, NJ, 1999.
2. Wyatt, R. E. Quantum Dynamics with Trajectories: Introduction to Quantum Hydrodynamics; Springer: New York, 2005.
3. Bohm, D. Phys. Rev. 1952, 85, 166.
4. Bohm, D. Phys. Rev. 1952, 85, 180.
5. Madelung, E. Z. Phys. 1926, 40, 322.
6. de Broglie, L. J. Phys. 1927, 8, 225.
7. Holland, P. R. The Quantum Theory of Motion: An Account of the de Broglie-Bohm Causal Interpretation of Quantum Mechanics; Cambridge University Press: New York, 1993.
8. Holland, P. Ann. Phys. 2005, 315, 505.
9. Takabayasi. T. Prog. Theor. Phys. 1954, 11, 341.
10. Burghardt, I.; Cederbaum, L. S. J. Chem. Phys. 2001, 115, 10303.
11. Burghardt, I.; Cederbaum, L. S. J. Chem. Phys. 2001, 115, 10312.
12. Burghardt, I.; Moller, K. B.; Parlant, G.; Cederbaum, L. S.; Bittner, E. R. Int. J. Quantum Chem. 2004, 100, 1153.
13. Lopreore, C. L.; Wyatt, R. E. Phys. Rev. Lett. 1999, 82, 5190.
14. Wyatt, R. E. J. Chem. Phys. 1999, 111, 4406.
15. Babyuk, D.; Wyatt, R. E. Chem. Phys. Lett. 2004, 400, 145.
16. Babyuk, D.; Wyatt, R. E. J. Chem. Phys. 2004, 121, 9230.
17. Wyatt, R. E.; Babyuk, D. Phys. Rev. E 2006, 73, 10.
18. Babyuk, D.; Wyatt, R. E. J. Chem. Phys. 2006, 124, 7.
19. Babyuk, D.; Wyatt, R. E. J. Chem. Phys. 2006, 125, 7.
20. Kendrick, B. K. J. Chem. Phys. 2003, 119, 5805.
21. Pauler, D. K.; Kendrick, B. K. J. Chem. Phys. 2004, 120, 603.
22. Kendrick, B. K. J. Chem. Phys. 2004, 121, 2471.
23. Poirier, B. J. Chem. Phys. 2004, 121, 4501.
24. Trahan, C.; Poirier, B. J. Chem. Phys. 2006, 124, 14.
25. Trahan, C.; Poirier, B. J. Chem. Phys. 2006, 124, 18.
26. Rassolov, V. A.; Garashchuk, S. J. Chem. Phys. 2004, 120, 6815.
27. Garashchuk, S.; Rassolov, V. A. J. Chem. Phys. 2004, 121, 8711.
28. Rassolov, V. A.; Garashchuk, S. Phys. Rev. A 2005, 71, 10.
29. Trahan, C. J.; Hughes, K.; Wyatt, R. E. J. Chem. Phys. 2003, 118, 9911.
30. Trahan, C. J.; Wyatt, R. E. J. Chem. Phys. 2003, 119, 7017.
31. Trahan, C. J.; Wyatt, R. E. Chem. Phys. Lett. 2004, 385, 280.
32. Hughes, K. H.; Wyatt, R. E. J. Chem. Phys. 2004, 120, 4089.
33. Hughes, K. H. J. Chem. Phys. 2005, 122, 11.
34. Bittner, E. R. J. Chem. Phys. 2003, 119, 1358.
35. Trahan, C. J.; Wyatt, R. E.; Poirier, B. J. Chem. Phys. 2005, 122, 9.
36. John, M. V. Found. Phys. Lett. 2002, 15, 329.
37. Yang, C. D. Ann. Phys. 2005, 319, 399.
38. Yang, C. D. Chaos, Solitons Fractals 2006, 30, 41.
39. Yang, C. D. Chaos, Solitons Fractals 2006, 30, 342.
40. Yang, C. D. Chaos, Solitons Fractals 2007, 32, 312.
41. Chou, C. C.; Wyatt, R. E. J. Chem. Phys. 2006, 125, 10.
42. Chou, C. C.; Wyatt, R. E. Phys. Rev. E 2006, 74, 9.
43. Chou, C. C.; Wyatt, R. E. Int. J. Quantum Chem., in press.
44. Boiron, M.; Lombardi, M. J. Chem. Phys. 1998, 108, 3431.
45. Goldfarb, Y.; Degani, I.; Tannor, D. J. J. Chem. Phys. 2006, 125, 4.
46. Heller, E. J. Chem. Phys. 1975, 62, 1544.
47. Shalashilin, D.; Child, M. J. Chem. Phys. 2000, 113, 10028.
48. Shalashilin, D.; Child, M. J. Chem. Phys. 2001, 114, 9296.
49. Shalashilin, D.; Child, M. J. Chem. Phys. 2001, 115, 5367.
50. Martinez, T.; Ben-Nun, M.; Levine, R. J. Phys. Chem. 1996, 100, 7884.
51. Ben-Nun, M.; Martinez, T. J. Chem. Phys. 1998, 108, 7244.
52. Ben-Nun, M.; Martinez, T. J. Phys. Chem. 2000, 112, 6113.
53. Swada, S.; Heather, R.; Jackson, B.; Metiu, H. J. Chem. Phys. 1985, 83, 3009.
54. Garashchuk, S.; Rassolov, V. A. Chem. Phys. Lett. 2002, 364, 562.
55. Cook, D. B. Probability and Schrödinger's Mechanics; World Scientific: River Edge, NJ, 2002.
56. Tannor, D. J. Introduction to Quantum Mechanics: A Time-Dependent Perspective; University Science Books: Sausalito, CA, 2007.
57. Huber, D.; Heller, E. J. J. Chem. Phys. 1987, 87, 5302.
58. Huber, D.; Heller, E. J.; Littlejohn, R. G. J. Chem. Phys. 1988, 89, 2003.
59. de Aguiar, M. A. M.; Baranger, M.; Jaubert, L.; Parisio, F.; Ribeiro, A. D. J. Phys. A: Math. Gen. 2005, 38, 4645.
60. Rowland, B. A.; Wyatt, R. E. Chem. Phys. Lett. 2006, 426, 209.
61. Arfken, G. B.; Weber, H.-J. Mathematical Methods for Physicists, 5th ed.; Harcourt/Academic Press: San Diego, CA, 2001.
62. Kwok, Y. K. Applied Complex Variables for Scientists and Engineers; Cambridge University Press: New York, 2002.
63. Holmes, M. H. Introduction to Numerical Methods in Differential Equations; Springer: New York, 2007.
64. Hundsdorfer, W. H.; Verwer, J. G. Numerical Solution of Time-Dependent Advection-Diffusion-Reaction Equations; Springer: New York, 2003.
65. Wyatt, R. E.; Rowland, B. A. J. Chem. Phys. in press.
66. David, J. K.; Wyatt R. E., to be submitted for publication.