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/content/aip/journal/jcp/134/4/10.1063/1.3549570
1.
1. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
http://dx.doi.org/10.1021/j100319a003
2.
2. C. Leforestier, R. H. Bisseling, C. Cerjan, M. D. Feit, R. Friesner, A. Guldberg, A. Hammerich, G. Jolicard, W. Karrlein, H.-D Meyer, N. Lipkin, O. Roncero, and R. Kosloff, J. Comput. Phys. 94, 59 (1991).
http://dx.doi.org/10.1016/0021-9991(91)90137-A
3.
3. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
http://dx.doi.org/10.1146/annurev.pc.45.100194.001045
4.
4. S. K. Gray and G. G. Balint-Kurti, J. Chem. Phys. 108, 950 (1998).
http://dx.doi.org/10.1063/1.475495
5.
5. R. Q. Chen and H. Guo, J. Chem. Phys. 111, 9944 (1999).
http://dx.doi.org/10.1063/1.480347
6.
6. R. Chen and H. Guo, Comput. Phys. Commun. 119, 19 (1999).
http://dx.doi.org/10.1016/S0140-3664(98)00209-6
7.
7. A. Castro, M. A. Marques, and A. Rubio, J. Chem. Phys. 121, 3425 (2004).
http://dx.doi.org/10.1063/1.1774980
8.
8. G. Goldstein and D. Baye, Phys. Rev. E 70, 056703 (2004).
http://dx.doi.org/10.1103/PhysRevE.70.056703
9.
9. N. Carjan, R. Rizea, and D. Strottman, Romanian Reports in Physics 55, 555 (2003).
10.
10. Z. Sun, S. Y. Lee, H. Guo, and D. H. Zhang, J. Chem. Phys. 130, 174102 (2009).
http://dx.doi.org/doi:10.1063/1.3188777
11.
11. D. Kosloff and R. Kosloff, J. Comput. Phys. 52, 35 (1983).
http://dx.doi.org/10.1016/0021-9991(83)90015-3
12.
12. M. D. Feit, J. A. Fleck, Jr., and A. Steiger, J. Comput. Phys. 47, 412 (1982).
http://dx.doi.org/10.1016/0021-9991(82)90091-2
13.
13. F. J. Vesely, Computaitonal Physics: An Introduction (Kluwer Academic, New York, 1994).
14.
14. T. J. Park and J. C. Light, J. Chem. Phys. 85, 5870 (1986).
http://dx.doi.org/10.1063/1.451548
15.
15. J. Crank and P. Nicolson, Proc. Cambridge Philos. Soc. 43, 50 (1947).
http://dx.doi.org/10.1017/S0305004100023197
16.
16. A. L. Garcia, Numerical Method for Physics (Prentice Hall, New Jersey, 2000).
17.
17. S. E. Koonin and D. C. Meredith, Computaitonal Physics: Fortran Version (Addison-Wesley, Reading, Mass., 1990).
18.
18. M. T. Cvitas and S. C. Althorpe, Comput. Phys. Commun. 177, 357 (2007).
http://dx.doi.org/doi:10.1016/j.cpc.2007.05.002
19.
19. G. Sun and C. W. Trueman, Electron. Lett. 39, 595 (2003).
http://dx.doi.org/10.1049/el:20030043
20.
20. R. Nepstad, T. Birkeland, and M. Førre, Phys. Rev. A 81, 063402 (2010).
http://dx.doi.org/10.1103/PhysRevA.81.063402
21.
21. I. Kawata and H. Kono, J. Chem. Phys. 111, 9498 (1999).
http://dx.doi.org/10.1063/1.480281
22.
22. A. D. Bandrauk, S. Chelkowski, D. J. Diestler, J. Manz, and K. J. Yuan, Phys. Rev. A 79, 023403 (2009).
http://dx.doi.org/10.1103/PhysRevA.79.023403
23.
23. P. Muruganandam and S. K. Adhikari, Comput. Phys. Commun. 180, 1888 (2009).
http://dx.doi.org/10.1016/j.cpc.2008.08.002
24.
24. N. Watanabe and M. Tsukada, Phys. Rev. E 62, 2914 (2000).
http://dx.doi.org/10.1103/PhysRevE.62.2914
25.
25. J. H. Eberly, Q. Su, and J. Javanainen, Phys. Rev. Lett. 62, 881 (1989).
http://dx.doi.org/10.1103/PhysRevLett.62.881
26.
26. M. E. Riley and B. Ritchie, Phys. Rev. A 59, 3544 (1999).
http://dx.doi.org/10.1103/PhysRevA.59.3544
27.
27. C. Cerjan and R. Kosloff, Phys. Rev. A 47, 1852 (1993).
http://dx.doi.org/10.1103/PhysRevA.47.1852
28.
28. R. Q. Chen and H. Guo, Chem. Phys. Lett. 252, 201 (1996).
http://dx.doi.org/10.1016/0009-2614(96)00147-9
29.
29. E. J. Heller, Acc. Chem. Res. 14, 368 (1981).
http://dx.doi.org/10.1021/ar00072a002
30.
30. A. B. Ritchie and M. E. Riley, Sandia National Laboratories Technical Report, SAND97-1205, June 1997.
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/content/aip/journal/jcp/134/4/10.1063/1.3549570
2011-01-25
2016-12-06

Abstract

The short-time integrator for propagating the time-dependent Schrödinger equation, which is exact to machine's round off accuracy when the Hamiltonian of the system is time-independent, was applied to solve dynamics processes. This integrator has the old Cayley's form [i.e., the Padé (1,1) approximation], but is implemented in a spectrally transformed Hamiltonian which was first introduced by Chen and Guo. Two examples are presented for illustration, including calculations of the collision energy-dependent probability passing over a barrier, and interaction process between pulse laser and the diatomic molecule.

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