Semiclassically optimized complex absorbing potentials of polynomial form. I. Pure imaginary case

Journal of Chemical Physics

Volumn 118, Issue 1, 2003, Pages 17-28

  Poirier, Bill ^a   Carrington Jr , Tucker ^b  

^a TEXAS TECH UNIVERSITY   (United States)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRON RESONANCE; HAMILTONIANS; LIGHT REFLECTION; LIGHT TRANSMISSION; OPTIMIZATION; PHOTODISSOCIATION; POLYNOMIALS; QUANTUM THEORY; RATE CONSTANTS;

COMPLEX ABSORBING POTENTIAL; FILTER DIAGONALIZATION; MULTIDIMENSIONAL QUANTUM DYNAMICS; ONE-DIMENSIONAL HAZI-TAYLOR SYSTEM; PRECONDITIONED INEXACT SPECTRAL TRANSFORM; RESONANCE ENERGY;

MOLECULAR DYNAMICS;

EID: 0037258135     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1524624     Document Type: Article

References (30)

1. U. V. Riss and H.-D. Meyer, J. Chem. Phys. 105, 1409 (1996).
2. T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992).
3. A. Vibok and G.-G. Balint-Kurti, J. Phys. Chem. 96, 8712 (1992).
4. U. V. Riss and H.-D. Meyer, J. Phys. B 28, 1475 (1995).
5. D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989).
6. R. Kosloff and D. Kosloff, J. Comput. Phys. 63, 363 (1986).
7. G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985).
8. A. Vibok and G. G. Balint-Kurti, J. Chem. Phys. 96, 7615 (1992).
9. U. V. Riss and H.-D. Meyer, J. Phys. B 26, 4503 (1993).
10. T. P. Grozdanov, V. Mandelshtam and H. Taylor, J. Chem. Phys. 103, 7990 (1995).
11. M. S. Child Mol. Phys. 72, 89 (1991).
12. Jiu-Yuan Ge and John Z. H. Zhang, J. Chem. Phys. 108, 1429 (1998).
13. Robin Santra and Lorenz S. Cederbaum, J. Chem. Phys. 115, 6853 (2001).
14. M. Alacid and C. Leforestier, J. Chem. Phys. 114, 1685 (2001).
15. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar (American Chemical Society, Washington, DC, 1984).
16. R. Schinke, Photodissociation Dynamics (Cambridge University Press, Cambridge, 1993).
17. B. Poirier and T. Carrington, J. Chem. Phys. (submitted).
18. W. H. Miller, J. Phys. Chem. 102, 793 (1998).
19. V. Mandelshtan and H. Taylor, J. Chem. Phys. 107, 6756 (1997).
20. B. Poirier and T. Carrington, J. Chem. Phys. 116, 1215 (2002).
21. G. Jolicard and E. J. Austin, Chem. Phys. 103, 295 (1986).
22. A. U. Hazi and H. S. Taylor, Phys. Rev. A 1, 1109 (1970).
23. M. V. Berry and K. E. Mount, Rep. Prog. Phys. 35, 315 (1972).
24. W. H. Thompson and W. H. Miller, Chem. Phys. Lett. 206, 123 (1993).
25. B. Poirier and W. H. Miller, Chem. Phys. Lett. 256, 77 (1997).
26. B. Poirier, J. Chem. Phys. 108, 5216 (1998).
27. Note that this definition of discontinuous reflection differs slightly from the conventional one. The Reason is due to different boundary conditions. In the conventional situation, the incoming wave from the right is presumed to be zero; in the present case, it is not zero, owing to continuous reflection.
28. Note that there is an error in Ref. 7, wherein it is stated that m=1/2. In fact, m=1 is what is used.
29. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1992).
30. C. Leforestier and R. E. Wyatt, J. Chem. Phys. 78, 2334 (1983).