Comparison of Chebyshev, Faber, and Lanczos propagation-based methods for calculating resonances

Journal of Chemical Physics

Volumn 112, Issue 12, 2000, Pages 5263-5269

  Xie, Daiqian ^a,b   Chen, Rongqing ^a   Quo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000411081     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481096     Document Type: Review

References (69)

1. A. Messiah, Quantum Mechanics (Wiley, New York, 1968).
2. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar (American Chemical Society, Washington, D.C., 1984).
3. J. M. Bowman, J. Phys. Chem. 102, 3006 (1998).
4. R. Schinke, H.-M. Keller, H. Flöthmann, M. Stumpf, C. Beck, D. H. Mordaunt, and A. J. Dobbyn, Adv. Chem. Phys. 101, 745 (1997).
5. F. T. Smith, Phys. Rev. 118, 349 (1960).
6. A. U. Hazi and H. S. Taylor, Phys. Rev. A 1, 1109 (1970).
7. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 99, 222 (1993).
8. G. Jolicard and E. J. Austin, Chem. Phys. 103, 295 (1986).
9. G. Jolicard, C. Leforestier, and E. J. Austin, J. Chem. Phys. 88, 1026 (1988).
10. D. Wang and J. M. Bowman, J. Chem. Phys. 100, 1021 (1994).
11. D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989).
12. T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992).
13. W. P. Reinhardt, Annu. Rev. Phys. Chem. 33, 223 (1982).
14. N. Moiseyev, Isr. J. Chem. 31, 311 (1991).
15. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
16. S. K. Gray, J. Chem. Phys. 96, 6543 (1992).
17. R. N. Dixon, J. Chem. Soc., Faraday Trans. 88, 2575 (1992).
18. Y. Huang, W. Zhu, D. Kouri, and D. K. Hoffman, Chem. Phys. Lett. 206, 96 (1993).
19. Y. Huang, S. S. Iyengar, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 105, 927 (1996).
20. Y. Huang, D. J. Kouri, and D. K. Hoffman, Chem. Phys. Lett. 225, 37 (1994).
21. Y. Huang, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 101, 10493 (1994).
22. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 103, 2903 (1995).
23. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 102, 7390 (1995).
24. R. Chen and H. Guo, Chem. Phys. Lett. 261, 605 (1996).
25. H.-G. Yu and S. C. Smith, J. Chem. Phys. 107, 9985 (1997).
26. S. K. Gray and G. G. Balint-Kurti, J. Chem. Phys. 108, 950 (1998).
27. D. Neuhauser, J. Chem. Phys. 93, 2611 (1990).
28. D. Neuhauser, J. Chem. Phys. 95, 4927 (1991).
29. M. R. Wall and D. Neuhauser, J. Chem. Phys. 102, 8011 (1995).
30. T. P. Grozdanov, V. A. Mandelshtam, and H. S. Taylor, J. Chem. Phys. 103, 7990 (1995).
31. V. A. Mandelshtam and H. S. Taylor, J. Chem. Soc., Faraday Trans. 93, 847 (1997).
32. V. A. Mandelshtam and H. S. Taylor, Phys. Rev. Lett. 78, 3274 (1997).
33. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 107, 6756 (1997).
34. K. F. Milfeld and N. Moiseyev, Chem. Phys. Lett. 130, 145 (1986).
35. S. Dallwig, N. Fahrer, and C. Schlier, Chem. Phys. Lett. 191, 69 (1992).
36. C. Leforestier, K. Yamashita, and N. Moiseyev, J. Chem. Phys. 103, 8468 (1995).
37. G.-J. Kroes and D. Neuhauser, J. Chem. Phys. 105, 9104 (1996).
38. H.-G. Yu and S. C. Smith, Chem. Phys. Lett. 283, 69 (1998).
39. R. Chen and H. Guo, J. Chem. Phys. 105, 3569 (1996).
40. R. Chen and H. Guo, J. Chem. Phys. 108, 6068 (1998).
41. R. Chen and H. Guo, Comput. Phys. Commun. 119, 19 (1999).
42. C. Lanczos, J. Res. Natl. Bur. Stand. 45, 255 (1950).
43. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations (Birkhauser, Boston, 1985).
44. S. Skokov, J. Qi, J. M. Bowman, C.-Y. Yang, S. K. Gray, K. A. Peterson, and V. A. Mandelshtam, J. Chem. Phys. 109, 10273 (1998).
45. S.-W. Huang and T. Carrington, Chem. Phys. Lett. 312, 311 (1999).
46. D. A. McCormack, G.-J. Kroes, and D. Neuhauser, J. Chem. Phys. 109, 5177 (1998).
47. J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985).
48. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 106, 5085 (1997).
49. R. Chen and H. Guo, Chem. Phys. Lett. 279, 252 (1997).
50. R. Chen and H. Guo, J. Chem. Phys. 111, 464 (1999).
51. N. Moiseyev, P. R. Certain, and F. Weinhild, Mol. Phys. 36, 1613 (1978).
52. W. Huisinga, L. Pesce, R. Kosloff, and P. Saalfrank, J. Chem. Phys. 110, 5538 (1999).
53. V. I. Smirnov and N. A. Lebedev, Functions of a Complex Variable (MIT Press, Cambridge, MA, 1968).
54. S. W. Ellacott, Math. Comput. 40, 575 (1983).
55. A. McNichols and T. Carrington, Chem. Phys. Lett. 202, 464 (1993).
56. R. Chen and H. Guo, Chem. Phys. Lett. 277, 199 (1997).
57. F. Gatti, C. Iung, C. Leforestier, and X. Chapuisat, J. Chem. Phys. 111, 7236 (1999).
58. G. Moro and J. H. Freed, J. Phys. Chem. 84, 2837 (1980).
59. H.-D. Meyer, J. Horacek, and L. S. Cederbaum, Phys. Rev. A 43, 3587 (1991).
60. C. C. Paige, J. Inst. Math. Appl. 10, 373 (1972).
61. G. H. Golub and C. F. Van Loan, Matrix Computations, 2nd ed. (The Johns Hopkins University Press, Baltimore, 1989).
62. Y. Saad and M. H. Schultz, SIAM (Soc. Ind. Appl. Math.) J. Sci. Stat. Comput. 7, 856 (1986).
63. R. W. Freund and N. M. Nachtigal, Numer. Math. 60, 315 (1991).
64. H. O. Karlsson, J. Chem. Phys. 103, 4914 (1995).
65. H. Romanowski, K.-T. Lee, J. M. Bowman, and L. B. Harding, J. Chem. Phys. 84, 4888 (1986).
66. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1992).
67. J. Echave and D. C. Clary, Chem. Phys. Lett. 190, 225 (1992).
68. R. Chen and H. Guo, J. Chem. Phys. 111, 9944 (1999).
69. R. Chen and H. Guo, J. Comput. Phys. 136, 494 (1997).