A single Lanczos propagation method for calculating transition amplitudes

Journal of Chemical Physics

Volumn 111, Issue 22, 1999, Pages 9944-9951

  Chen, Rongqing ^a   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000629875     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480347     Document Type: Article

References (35)

1. C. Lanczos, J. Res. Natl. Bur. Stand. 45, 255 (1950).
2. B. N. Parlett, The Symmetric Eigenvalue Problem (Prentice-Hall, Englewood Cliffs, NJ, 1980).
3. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations (Birkhauser, Boston, 1985).
4. Y. Saad, Numerical Methods for Large Eigenvalue Problems (Manchester University Press, Manchester, 1992).
5. A. Nauts and R. E. Wyatt, Phys. Rev. Lett. 51, 2238 (1983).
6. A. Nauts and R. E. Wyatt, Phys. Rev. A 30, 872 (1984).
7. R. E. Wyatt and D. S. Scott, in Large Scale Eigenvalue Problems, edited by J. Cullum and R. A. Willoughby (North Holland, Amsterdam, 1986), pp. 67.
8. R. E. Wyatt, Adv. Chem. Phys. 53, 231 (1989).
9. R. E. Wyatt, Phys. Rev. E 51, 3643 (1995).
10. C. Iung and C. Leforestier, J. Chem. Phys. 90, 3198 (1989).
11. A. McNichols and T. Carrington, Chem. Phys. Lett. 202, 464 (1993).
12. M. J. Bramley, J. W. Tromp, T. Carrington, and G. C. Corey, J. Chem. Phys. 100, 6175 (1994).
13. P.-N. Roy and T. Carrington, J. Chem. Phys. 103, 5600 (1995).
14. R. Chen and H. Guo, Chem. Phys. Lett. 277, 199 (1997).
15. 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).
16. C. C. Paige, J. Inst. Math. Appl. 18, 341 (1976).
17. C. C. Paige, Linear Algebr. Appl. 34, 235 (1980).
18. G. H. Golub and C. F. Van Loan, Matrix Computations, 2nd ed. (The Johns Hopkins University Press, Baltimore, 1989).
19. D. C. Sorensen, SIAM J. Matrix Anal. Appl. 13, 357 (1992).
20. H.-G. Yu and S. C. Smith, J. Comput. Phys. 143, 484 (1998).
21. J. Cullum and R. A. Willoughby, J. Comput. Phys. 44, 329 (1981).
22. R. Chen and H. Guo, J. Comput. Phys. 136, 494 (1997).
23. H.-G. Yu and S. C. Smith, Ber. Bunsenges. Phys. Chem. 101, 400 (1997).
24. M. D. Feit and J. A. Fleck, J. Chem. Phys. 78, 301 (1983).
25. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 107, 6756 (1997).
26. V. A. Mandelshtam, J. Chem. Phys. 108, 9999 (1998).
27. R. Chen and H. Guo, Chem. Phys. Lett. 201, 252 (1996).
28. R. Chen and H. Guo, Chem. Phys. Lett. 308, 123 (1999).
29. G. Yao and R. E. Wyatt, Chem. Phys. Lett. 239, 207 (1995).
30. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
31. R. Chen and H. Guo, Comput. Phys. Commun. 119, 19 (1999).
32. C. C. Paige, J. Inst. Math. Appl. 10, 373 (1972).
33. N. Moiseyev, R. A. Friesner, and R. E. Wyatt, J. Chem. Phys. 85, 331 (1986).
34. R. Chen, H. Guo, S. Skokov, and J. M. Bowman, J. Chem. Phys. 111, 7290 (1999).
35. S. Skokov, K. A. Peterson, and J. M. Bowman, J. Chem. Phys. 109, 2662 (1998).