The H3+ rovibrational spectrum revisited with a global electronic potential energy surface

Journal of Chemical Physics

Volumn 129, Issue 8, 2008, Pages

  Velilla, Luis ^a   Lepetit, Bruno ^b   Aguado, Alfredo ^a   Beswick, J Alberto ^b   Paniagua, Miguel ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER NETWORKS; CORRELATION METHODS; KETONES; MOTION ESTIMATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RANDOM PROCESSES; VARIATIONAL TECHNIQUES;

RANDOM-MATRIX-THEORY; ROVIBRATIONAL SPECTRUM; VARIATIONAL CALCULATIONS;

MATRIX ALGEBRA;

EID: 50849102306     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2973629     Document Type: Article

References (66)

1. I. R. McNab, Adv. Chem. Phys. 89, 1 (1995).
2. T. Oka, Proc. Natl. Acad. Sci. U.S.A. 103, 12235 (2006).
3. T. Oka, Philos. Trans. R. Soc. London, Ser. A 364, 2847 (2006).
4. T. Oka, Phys. Rev. Lett. 45, 531 (1980).
5. C. M. Lindsay and B. J. McCall, J. Mol. Spectrosc. 210, 60 (2001).
6. J. L. Gottfried, B. J. McCall, and T. Oka, J. Chem. Phys. 118, 10890 (2003).
7. J. L. Gottfried, Philos. Trans. R. Soc. London, Ser. A 364, 2917 (2006).
8. A. Carrington, J. Buttenshaw, and R. A. Kennedy, Mol. Phys. 45, 753 (1982).
9. A. Carrington and R. A. Kennedy, J. Chem. Phys. 81, 91 (1984).
10. A. Carrington, I. R. McNab, and Y. D. West, J. Chem. Phys. 98, 1073 (1993).
11. P. Drossart, J. P. Maillard, J. Caldwell, S. J. Kim, J. K. G. Watson, W. A. Majewski, J. Tennyson, S. Miller, S. K. Atreya, J. T. Clarke, J. H. Waite, Jr., and R. Wagener, Nature (London) 340, 539 (1989).
12. T. R. Geballe and T. Oka, Nature (London) 384, 334 (1996).
13. B. J. McCall, T. R. Geballe, K. H. Hinkle, and T. Oka, Science 279, 1910 (1998).
14. J. K. G. Watson, Philos. Trans. R. Soc. London, Ser. A 358, 2371 (2000).
15. W. Meyer, P. Botschwina, and P. Burton, J. Chem. Phys. 84, 891 (1986).
16. R. Röhse, W. Kutzelnigg, R. Jaquet, and W. Klopper, J. Chem. Phys. 101, 2231 (1994).
17. W. Cencek, J. Rychlewski, R. Jaquet, and W. Kutzelnigg, J. Chem. Phys. 108, 2831 (1998).
18. R. Jaquet, W. Cencek, W. Kutzelnigg, and J. Rychlewski, J. Chem. Phys. 108, 2837 (1998).
19. R. Jaquet, Spectrochim. Acta, Part A 58, 691 (2002).
20. B. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 163, 71 (1994).
21. R. Prosmiti, O. L. Polyansky, and J. Tennyson, Chem. Phys. Lett. 273, 107 (1997).
22. O. L. Polyansky, R. Prosmiti, W. Klopper, and J. Tennyson, Mol. Phys. 98, 261 (2000).
23. A. Aguado, O. Roncero, C. Tablero, C. Sanz, and M. Paniagua, J. Chem. Phys. 112, 1240 (2000).
24. C. Sanz, O. Roncero, C. Tablero, A. Aguado, and M. Paniagua, J. Chem. Phys. 114, 2182 (2001).
25. V. A. Mandelshtam and H. S. Taylor, J. Chem. Soc., Faraday Trans. 93, 847 (1997).
26. J. J. Munro, J. Ramanlal, and J. Tennyson, New J. Phys. 7, 196 (2005).
27. J. J. Munro, J. Ramanlal, J. Tennyson, and H. Y. Mussa, Mol. Phys. 104, 115 (2006).
28. J. Tennyson, P. Barletta, J. J. Munro, and B. C. Silva, Philos. Trans. R. Soc. London, Ser. A 364, 2903 (2006).
29. A. Alijah, J. Hinze, and L. Wolniewicz, Ber. Bunsenges. Phys. Chem. 99, 251 (1995).
30. P. Schiffels, A. Alijah, and J. Hinze, Mol. Phys. 101, 175 (2003).
31. P. Schiffels, A. Alijah, and J. Hinze, Mol. Phys. 101, 189 (2003).
32. A. Alijah and J. Hinze, Philos. Trans. R. Soc. London, Ser. A 364, 2877 (2006).
33. O. L. Polyansky and J. Tennyson, J. Chem. Phys. 110, 5056 (1999).
34. O. Asvany, E. Hugo, F. Müller, F. Kühnemann, S. Schiller, J. Tennyson, and S. Schlemmer, J. Chem. Phys. 127, 154317 (2007).
35. E. Carmona-Novillo, T. González-Lezana, O. Roncero, P. Honvault, J. Launay, N. Bulut, F. J. Aoiz, L. Baares, A. Trottier, and E. Wrede, J. Chem. Phys. 128, 014304 (2008).
36. B. Lepetit, D. Wang, and A. Kuppermann, J. Chem. Phys. 125, 133505 (2006).
37. F. Karlick, B. Lepetit, R. Kalus, and F. X. Gad́a, J. Chem. Phys. 126, 174305 (2007).
38. F. Karlick, B. Lepetit, R. Kalus, I. Paidarová, and F. X. Gad́a, J. Chem. Phys. 128, 124303 (2008).
39. M. Hamermesh, Group Theory and Its Applications to Physical Problems (Addison Wesley, Reading, MA, 1962).
40. A. Kuppermann, J. Phys. Chem. 100, 2621 (1996).
41. O. Tolstikhin, S. Watanabe, and M. Matsuzawa, J. Phys. B 29, L389 (1996).
42. J. Light and T. Carrington, Adv. Chem. Phys. 114, 263 (2000).
43. D. Wang and A. Kuppermann, J. Phys. Chem. A 107, 7290 (2003).
44. A. Kuppermann, J. Phys. Chem. A 110, 809 (2006).
45. P. J. Mohr and B. N. Taylor, Rev. Mod. Phys. 77, 1 (2005).
46. H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, MOLPRO, version 2006.1, a package of ab initio programs, 2006, see http://www.molpro.net
47. K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr. (unpublished).
48. J. O. Hirschfelder and W. J. Meath, Nature of Intermolecular Forces (Interscience, New York, 1967).
49. A. J. Stone, The Theory of Intermolecular Forces (Oxford University Press, Oxford, 1996).
50. C. A. Coulson, Proc. R. Soc. Edinburgh, Sect. A: Math. Phys. Sci. 61, 20 (1941).
51. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).
52. C. F. Giese and W. Gentry, Phys. Rev. A 10, 2156 (1974).
53. A. Aguado and M. Paniagua, J. Chem. Phys. 96, 1265 (1992).
54. A. Aguado, C. Tablero, and M. Paniagua, Comput. Phys. Commun. 108, 259 (1998).
55. See EPAPS Document No. E-JCPSA6-129-612834 for the FORTRAN source code. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
56. J. T. Hougen, J. Chem. Phys. 37, 1433 (1962).
57. W. Kutzelnigg and R. Jaquet, Philos. Trans. R. Soc. London, Ser. A 364, 2855 (2006).
58. F. Haake, Quantum Signatures of Chaos (Springer, New York, 1991).
59. O. Bohigas, M. J. Giannoni, and C. Schmit, Phys. Rev. Lett. 52, 1 (1983).
60. M. L. Mehta, Random Matrices (Elsevier, New York, 2004).
61. T. Papenbrock and H. A. Weidenmüller, Rev. Mod. Phys. 79, 997 (2007).
62. M. Lombardi and T. H. Seligman, Phys. Rev. A 47, 3571 (1993).
63. J. R. Henderson and J. Tennyson, Mol. Phys. 89, 953 (1996).
64. J. M. Gomez Llorente and E. Pollak, J. Chem. Phys. 89, 1195 (1988).
65. J. M. Gomez Llorente and E. Pollak, J. Chem. Phys. 90, 5406 (1989).
66. B. Lepetit, R. Abrol, and A. Kuppermann, Phys. Rev. A 76, 040702 (2007).