Exploring the transition state for the Li+HF→LiF+H reaction through the A←X absorption spectrum and X←A stimulated emission pumping

Journal of Chemical Physics

Volumn 114, Issue 8, 2001, Pages 3440-3448

  Aguado, Alfredo ^a   Lara, Manuel ^a   Paniagua, Miguel ^a   Roncero, Octavio ^b  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; ELECTRON EMISSION; ELECTRONIC STRUCTURE; GROUND STATE; LITHIUM COMPOUNDS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; QUANTUM THEORY; STIMULATED EMISSION; VAN DER WAALS FORCES;

ELECTRONIC PREDISSOCIATION; EXCITED ELECTRONIC STATE; POTENTIAL ENERGY SURFACE; SPONTANEOUS RADIATIVE EMISSION;

ELECTRON TRANSITIONS;

EID: 0035248803     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1340564     Document Type: Article

References (44)

1. M. Polanyi, Atomic reactions (Williams and Norgate, London, 1932).
2. D. R. Herschbach, Adv. Chem. Phys. 10, 319 (1966).
3. R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics and Chemical Reactivity (Oxford University Press, Oxford, 1987).
4. C. Jouvet, M. Boivineau, M. C. Duval, and B. Soep, J. Phys. Chem. 91, 5416 (1987).
5. B. Soep, S. Abbés, A. Keller, and J. P. Visticot, J. Chem. Phys. 96, 440 (1992).
6. A. Keller, R. Lawruszczuk, B. Soep, and J. P. Visticot, J. Chem. Phys. 105, 4556 (1996).
7. X. Y. Chang, R. Ehlich, A. J. Hudson, P. Piecuch, and J. C. Polanyi, Faraday Discuss. 108, 411 (1997).
8. R. Lawruszczuk, M. Elhanine, and B. Soep, J. Chem. Phys. 108, 8374 (1998).
9. M. S. Topaler, D. G. Truhlar, X. Y. Chang, P. Piecuch, and J. C. Polanyi, J. Chem. Phys. 108, 5378 (1998).
10. K. Liu, J. C. Polanyi, and S. Yang, J. Chem. Phys. 98, 5431 (1993).
11. J. C. Polanyi and J.-X. Wang, J. Chem. Phys. 99, 13691 (1995).
12. S. Skowronek, R. Pereira, and A. González-Ureña, J. Chem. Phys. 107, 1668 (1997).
13. S. Skowronek, R. Pereira, and A. González-Ureña, J. Phys. Chem. A 101, 7468 (1997).
14. Y. Zeiri, G. Katz, R. Kosloff, M. S. Topaler, D. G. Truhlar, and J. C. Polanyi, Chem. Phys. Lett. 300, 523 (1999).
15. M. S. Topaler, D. G. Truhlar, X. Y. Chang, P. Piecuch, and J. C. Polanyi, J. Chem. Phys. 108, 5349 (1998).
16. R. Gargano, S. Crocchiami, A. Laganà, and G. A. Parker, J. Chem. Phys. 108, 6266 (1998).
17. M. Lara, A. Aguado, O. Roncero, and M. Paniagua, J. Chem. Phys. 109, 9391 (1998).
18. M. Paniagua, A. Aguado, M. Lara, and O. Roncero, J. Chem. Phys. 109, 2971 (1998).
19. M. Paniagua, A. Aguado, M. Lara, and O. Roncero, J. Chem. Phys. 111, 6712 (1999).
20. C. Suárez, A. Aguado, and M. Paniagua, Chem. Phys. 178, 357 (1993).
21. A. Aguado, C. Suárez, and M. Paniagua, Chem. Phys. 201, 107 (1995).
22. P. J. Bruna, S. D. Peyerimhoff, and R. S. Buenker, Chem. Phys. Lett. 72, 278 (1980).
23. R. J. Buenker, "Studies in physical and theoretical chemistry," in Current Aspects of Quantum Chemistry, edited by R. Carbó (Elsevier, Amsterdam, 1982), Vol. 21.
24. A. Aguado, M. Paniagua, M. Lara, and O. Roncero, J. Chem. Phys. 107, 10085 (1997).
25. A. Aguado and M. Paniagua, J. Chem. Phys. 96, 1265 (1992).
26. See EPAPS Document No. E-JCPSA6-114-001107 for a file containing tables of the corresponding parameters of the fit. This document may be retrieved via the EPAPS homepage (http:y/www.aip.org/pubservs/ epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
27. R. N. Zare, Angular Momentum (Wiley, New York, 1988).
28. W. C. Stwalley and W. T. Zemke, J. Chem. Phys. 22, 87 (1993).
29. C. Lanczos, J. Res. Natl. Bur. Stand. 45, 255 (1950).
30. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalues Computations, (Birkhäuser, Boston, 1985).
31. C.-E. Fröberg, Numerical Mathematics: Theory and Computer Applications (Benjamin/Cummings, New York, 1985).
32. R. E. Wyatt, Adv. Chem. Phys. LXXIII, 231 (1989).
33. M. Topaler, P. Piecuch, and D. G. Truhlar, J. Chem. Phys. 110, 5634 (1999).
34. O. Roncero, N. Halberstadt, and J. A. Beswick, Chem. Phys. Lett. 226, 82 (1994).
35. O. Roncero, N. Halberstadt, and J. A. Beswick, J. Chem. Phys. 104, 7554 (1996).
36. E. J. Heller, J. Chem. Phys. 68, 2066 (1978).
37. E. J. Heller, J. Chem. Phys. 68, 3891 (1978).
38. G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, J. Chem. Soc., Faraday Trans. 86, 1741 (1990).
39. W. H. Miller, J. Chem. Phys. 61, 1823 (1974).
40. M. Lara, A. Aguado, M. Paniagua, and O. Roncero, J. Chem. Phys. 113, 1781 (2000).
41. R. B. Walker, Y. Zeiri, and M. Shapiro, J. Chem. Phys. 74, 1763 (1981).
42. M. Shapiro and Y. Zeiri, J. Chem. Phys. 85, 6449 (1986).
43. A. Vardi and M. Shapiro, Phys. Rev. A 58, 1352 (1998).
44. A. J. Hudson, H. B. Oh, J. C. Polanyi, and P. Piecuch, J. Chem. Phys. 113, 9897 (2000).