Computed lifetimes of metastable states of CO2+

Journal of Chemical Physics

Volumn 124, Issue 21, 2006, Pages

  Sedivcova T ^a   Zd'Anska P R ^a   Spirko V ^a   Fiser J ^b  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; EQUATIONS OF STATE; MOLECULAR DYNAMICS; POTENTIAL ENERGY; WAVE EQUATIONS;

ELECTRONIC STATES; METASTABLE STATES; MOLECULAR DICATIONS; SCHRÖDINGER ANALYSIS;

CARBON DIOXIDE;

CARBON MONOXIDE;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS; TIME;

CARBON MONOXIDE; CHEMISTRY, PHYSICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; SOFTWARE; THERMODYNAMICS; TIME FACTORS;

EID: 34547554995     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2198835     Document Type: Article

References (43)

1. D. Schröder and H. Schwarz, J. Phys. Chem. A 103, 7385 (1999).
2. Z. Herman, Int. Rev. Phys. Chem. 15, 299 (1996).
3. S. D. Price, J. Chem. Soc., Faraday Trans. 93, 2451 (1997).
4. S. G. Cox, A. D. J. Critchley, P. S. Kreynin, I. R. McNab, R. C. Shiell, and F. E. Smith, Phys. Chem. Chem. Phys. 5, 663 (2003).
5. D. Mathur, Phys. Rep. 391, 1 (2004).
6. F. Penent, R. I. Hall, R. Panajotović, J. H. D. Eland, G. Chaplier, and P. Lablanquie, Phys. Rev. Lett. 81, 3619 (1998).
7. M. Lundqvist, P. Baltzer, D. Edvardsson, L. Karlsson, and B. Wannberg, Phys. Rev. Lett. 75, 1058 (1995).
8. L. H. Andersen, J. H. Posthumus, O. Vahtras, H. Ågren, N. Elander, A. Nunez, A. Scrinzi, M. Natiello, and M. Larsson, Phys. Rev. Lett. 71, 1812 (1993).
9. J. P. Bouhnik, I. Gertner, B. Rosner, Z. Amitay, O. Heber, D. Zajfman, E. Y. Sidky, and I. Ben-Itzhak, Phys. Rev. A 63, 032509 (2001).
10. T. A. Field and J. H. D. Eland, Chem. Phys. Lett. 211, 436 (1993).
11. M. Hochlaf, R. I. Hall, F. Penent, H. Kjeldsen, P. Lablanquie, M. Lavolĺe, and J. H. D. Eland, Chem. Phys. 207, 159 (1996).
12. G. Dawber, A. G. McConkey, L. Avaldi, M. A. MacDonald, G. C. King, and R. I. Hall, J. Phys. B 27, 2191 (1994).
13. J. H. D. Eland, Chem. Phys. 294, 171 (2003).
14. O. Furuhashi, T. Kinugawa, S. Masuda, C. Yamada, and S. Ohtani, Chem. Phys. Lett. 337, 97 (2001).
15. M. Larsson, G. Sundström, L. Broström, and S. Mannervik, J. Chem. Phys. 97, 1750 (1992).
16. F. R. Bennett and I. R. McNab, Chem. Phys. Lett. 251, 405 (1996).
17. D. Cossart and J. M. Robbe, Chem. Phys. Lett. 311, 248 (1999).
18. R. W. Wetmore, R. J. LeRoy, and R. K. Boyd, J. Phys. Chem. 88, 6318 (1984).
19. M. Larsson, B. J. Olsson, and P. Sigray, Chem. Phys. 139, 457 (1989).
20. J. H. D. Eland, M. Hochlaf, G. C. King, P. S. Kreynin, R. J. LeRoy, I. R. McNab, and J. M. Robbe, J. Phys. B 37, 3197 (2004).
21. L. Veseth, J. Phys. B 34, L773 (2001).
22. O. Vahtras, H. Ågren, P. Jörgensen, H. J. A. Jensen, T. Helgaker, and J. Olsen, J. Chem. Phys. 96, 2118 (1992).
23. E. Y. Sidky and I. Ben-Itzhak, Phys. Rev. A 60, 3586 (1999).
24. A. U. Hazi and H. S. Taylor, Phys. Rev. A 1, 1190 (1970).
25. R. Lefebvre, J. Phys. Chem. 89, 4201 (1985).
26. A. Mandelshtam, H. S. Taylor, V. Ryaboy, and N. Moiseyev, Phys. Rev. A 50, 2764 (1994).
27. N. Moiseyev, Phys. Rep. 302, 211 (1998).
28. V. Ryaboy and N. Moiseyev, J. Chem. Phys. 103, 4061 (1995).
29. V. Špirko, P. Piecuch, and O. Bludsk, J. Chem. Phys. 112, 189 (2000).
30. F. Mrugaa, P. Piecuch, V. Špirko, and O. Bludsk, J. Mol. Struct. 555, 43 (2000).
31. R. Burcl, P. Piecuch, V. Špirko, and O. Bludsk, J. Mol. Struct.: THEOCHEM 591, 151 (2001).
32. Y. Li, O. Bludsk, G. Hirsch, and R. J. Buenker, J. Chem. Phys. 107, 3014 (1997).
33. H.-J. Werner, P. J. Knowles, R. Lindh, et al., MOLPRO, Version 2002.6, a package of ab initio programs, 2003; see http://www.molpro.net
34. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
35. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
36. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
37. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
38. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
39. P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
40. W. E. Milne, Phys. Rev. 35, 863 (1930).
41. See EPAPS Document No. E-JCPSA6-124-008618 for the results comprising a complete set of the spectroscopic constants of the probed electronic states and details illustrating the stabilization and complex-scaling procedures used in the present study. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html).
42. B. R. Johnson, J. Chem. Phys. 69, 4678 (1978).
43. H. Lefebvre-Brion and R. W. Field, Pertubations in the Spectra of Diatomic Molecules (Academic, New York, 1986).