Lagrange-distributed approximating-functional approach to wave-packet propagation: Application to the time-independent wave-packet reactant-product decoupling method

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 57, Issue 5, 1998, Pages 3309-3316

  Wei, G W ^a   Althorpe, S C ^a   Zhang, D S ^a   Kouri, D J ^a   Hoffman, D K ^b  

^a University of Houston   (United States)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 17344365853     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.57.3309     Document Type: Article

References (65)

1. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).ARPLAP
2. R. C. Mowrey and D. J. Kouri, J. Chem. Phys. 84, 6466 (1986).JCPSA6
3. D. Neuhauser, M. Baer, R. S. Judson, and D. J. Kouri, J. Chem. Phys. 90, 5882 (1989); JCPSA6
4. D. NeuhauserM. BaerR. S. JudsonD. J. KouriComput. Phys. Commun. 63, 460 (1990);
5. D. Neuhauser, R. S. Judson, D. J. Kouri, D. E. Adelman, N. E. Shafer, D. A. V. Kliner, and R. N. Zare, Science 257, 519 (1992); SCIEAS
6. D. Neuhauser, R. S. Judson, M. Baer, and D. J. Kouri, in Advances in Molecular Vibrations and Collision Dynamics, edited by J. M. Bowman (JAI Press, New York, 1994), Vol. 2B, pp. 27–44.
7. G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, J. Chem. Soc. Faraday Trans. 86, 1741 (1990).JCFTEV
8. N. Balakrishnan, C. Kalyanaraman, and N. Sathyamurthy, Phys. Rep. 280, 79 (1997).PRPLCM
9. B. Jackson, Annu. Rev. Phys. Chem. 46, 251 (1995).ARPLAP
10. R. Schinke, Photodissociation Dynamics (Cambridge University Press, Cambridge, UK, 1993).
11. D. Wang, W. Zhu, J. Z. H. Zhang, and D. J. Kouri, J. Chem. Phys. 107, 751 (1997).JCPSA6
12. D. Neuhauser, J. Chem. Phys. 100, 9272 (1994); JCPSA6
13. J. Chem. Phys.D. H. Zhang and J. Z. H. Zhang, 100, 2697 (1994).
14. D. H. Zhang and J. C. Light, J. Chem. Phys. 105, 1291 (1996).JCPSA6
15. W. Zhu, J. Dai, J. Z. H. Zhang, and D. H. Zhang, J. Chem. Phys. 105, 4881 (1996).JCPSA6
16. J. Dai and J. C. Light, J. Chem. Phys. 107, 1676 (1997).JCPSA6
17. H. J. Nussbaumer, Fast Fourier Transform and Convolution Algorithms (Springer-Verlag, New York, 1982).
18. J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982); CHPLBC
19. Chem. Phys. Lett.J. C. Light, J. P. Hamilton, and J. V. Lill, 82, 1400 (1985).
20. (a) D. K. Hoffman, N. Nayar, O. A. Sharafeddin, and D. J. Kouri, J. Phys. Chem. 95, B299 (1991); JPCHAX
21. J. Phys. Chem.D. J. Kouri, X. Ma, W. Zhu, B. M. Pettitt, and D. K. Hoffman, 96, 9622 (1992);
22. J. Phys. Chem.D. K. Hoffman, M. Arnold, and D. J. Kouri, 96, 9637 (1992);
23. D. K. HoffmanM. ArnoldD. J. KouriChem. Phys. Lett. 203, 166 (1993);
24. (b) D. K. Hoffman, T. L. Marchioro II, M. Arnold, Y. Huang, W. Zhu, and D. J. Kouri, J. Math. Chem. 20, 117 (1996).JMCHEG
25. S. C. Althorpe, D. J. Kouri, D. K. Hoffman, and J. Z. H. Zhang, J. Chem. Soc. Faraday Trans. 93, 703 (1997).JCFTEV
26. S. C. Althorpe, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 106, 7629 (1997).JCPSA6
27. S. C. Althorperaux, D. J. Kouri, and D. K. Hoffman, Chem. Phys. Lett. 275, 173 (1997).CHPLBC
28. S. C. Althorpe, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys.107, 7816 (1997).JCPSA6
29. S. C. Althorpe, D. J. Kouri, D. K. Hoffman, and N. Moiseyev, Chem. Phys. 217, 289 (1997).CMPHC2
30. D. S. Zhang, G. W. Wei, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 106, 5216 (1997).JCPSA6
31. G. W. Wei, D. S. Zhang, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 107, 3239 (1997).JCPSA6
32. L. R. Rabiner and B. Gold, Theory and Application of Digital Signal Processing (Prentice-Hall, Englewood Cliffs, NJ, 1975), p. 88.
33. D. J. Kouri, D. S. Zhang, G. W. Wei, T. Konshak, and D. K. Hoffman (unpublished).
34. G. W. Wei, D. S. Zhang, D. J. Kouri, and D. K. Hoffman, Comput. Phys. Commun. (to be published).
35. D. S. Zhang, G. W. Wei, D. J. Kouri, and D. K. Hoffman, Phys. Rev. E 56, 1197 (1997).PLEEE8
36. G. W. Wei, D. S. Zhang, D. J. Kouri, and D. K. Hoffman (unpublished).
37. D. S. Zhang, G. W. Wei, D. J. Kouri, and D. K. Hoffman, Phys. Fluids 9, 1853 (1997).PHFLE6
38. D. S. Zhang, G. W. Wei, D. J. Kouri, D. K. Hoffman, M. Gorman, and G. H. Gunaratne, (unpublished).
39. G. W. Wei, D. S. Zhang, D. J. Kouri, and D. K. Hoffman, Phys. Rev. Lett. 96, 775 (1997).PRLTAO
40. D. K. Hoffman, G. W. Wei, D. S. Zhang, and D. J. Kouri, Phys. Rev. E (to be published).
41. A. Bohm, Quantum Mechanics, 3rd ed. (Springer-Verlag, Berlin, 1993).
42. T. Peng and J. Z. H. Zhang, J. Chem. Phys. 105, 6072 (1996); JCPSA6
43. D. J. Kouri, D. K. Hoffman, T. Peng, and J. Z. H. Zhang, Chem. Phys. Lett. 262, 519 (1996); CHPLBC
44. W. Zhu, T. Peng, and J. Z. H. Zhang, J. Chem. Phys. 106, 1742 (1997).JCPSA6
45. R. Paley and N. Wiener, Fourier Transforms in the Complex Domain, American Mathematical Society Colloquium Publications Ser. Vol. 19 (American Mathematical Society, Providence, RI, 1934).
46. D. K. Hoffman, G. W. Wei, D. S. Zhang, and D. J. Kouri, Chem. Phys. Lett. (to be published).
47. R. S. Judson, D. B. McGarrah, O. A. Sharafeddin, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 94, 3577 (1991).JCPSA6
48. For a general introduction to the TIW approach to quantum scattering see D. J. Kouri and D. K. Hoffman, Few-Body Syst. 18, 203 (1995); FBSYEQ
49. D. J. Kouri, Y. Huang, and D. K. Hoffman, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Dekker, New York, 1996).
50. B. Liu, J. Chem. Phys. 58, 1925 (1973); JCPSA6
51. J. Chem. Phys.P. Siegbahn and B. Liu, 68, 2457 (1978);
52. J. Chem. Phys.D. G. Truhlar and C. J. Horowitz, 68, 2466 (1978);
53. J. Chem. Phys.D. G. TruhlarC. J. Horowitz71, 1514(E) (1979).
54. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, UK, 1986).
55. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1991).JCPSA6
56. W. J. Gordon and J. A. Wixom, Math. Comput. 32, 253 (1978).MCMPAF
57. P. Lancaster and K. Salkauskas, Math. Comput. 37, 141 (1981).MCMPAF
58. J. J. Monaghan and R. A. Gingold, J. Comput. Phys. 52, 374 (1983).JCTPAH
59. B. Nayroles, G. Touzot, and P. Villon, Comput. Mech. 10, 307 (1992).ZZZZZZ
60. T. Belytschko, Y. Y. Lu, and L. Gu, Int. J. Numer. Methods Eng. 37, 229 (1994).IJNMBH
61. W. K. Liu, S. Jun, and Y. F. Zhang, Int. J. Numer. Methods Fluids 20, 1081 (1995).IJNFDW
62. K. A. Nguyen, I. Rossi, and D. G. Truhlar, J. Chem. Phys. 103, 5522 (1995).JCPSA6
63. T.-S. Ho and H. Rabitz, J. Chem. Phys. 104, 2584 (1996); JCPSA6
64. J. Chem. Phys.T.-S. Ho, H. Rabitz, S. E. Choi, and M. I. Lester, 102, 2282(L) (1995);
65. J. Chem. Phys.T.-S. HoH. RabitzS. E. ChoiM. I. Lester104, 1187 (1996).