Computed lifetimes of metastable states of the N O2+ dication

Journal of Chemical Physics

Volumn 128, Issue 14, 2008, Pages

  Bakova R ^a   Fiser J ^a   Sedivcova Uhlikova T ^b   Spirko V ^c  

^a CHARLES UNIVERSITY   (Czech Republic)

^b UNIVERSITY OF MILAN   (Italy)

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

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENT; ELECTRON TRANSITIONS; MAGNETIC COUPLINGS; METASTABLE PHASES; NITROGEN OXIDES; POTENTIAL ENERGY FUNCTIONS; SPIN DYNAMICS; WAVE FUNCTIONS;

PREDISSOCIATION LIFETIMES; RADIAL NONADIABATIC COUPLING FUNCTIONS; SPIN ORBIT COUPLINGS;

ELECTRONIC STATES;

NITRIC OXIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; PHASE TRANSITION;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITRIC OXIDE; PHASE TRANSITION;

EID: 42149189943     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2898495     Document Type: Article

References (39)

1. P. K. Carroll, Can. J. Phys. 36, 1585 (1958).
2. R. Abusen, F. R. Bennett, I. R. McNab, D. N. Sharp, R. C. Shiell, and C. A. Woodward, J. Chem. Phys. 108, 1761 (1998).
3. D. Cossart, M. Bonneau, and J. M. Robbe, J. Mol. Spectrosc. 125, 413 (1987).
4. D. Cossart and C. Cossart-Magos, J. Mol. Spectrosc. 147, 471 (1991).
5. G. Dawber, A. G. McConkey, L. Avaldi, M. A. MacDonald, G. C. King, and R. I. Hall, J. Phys. B 27, 2191 (1994).
6. D. Edvardsson, M. Lundqvist, P. Baltzer, B. Wannberg, and S. Lunell, Chem. Phys. Lett. 256, 341 (1996).
7. O. Furuhashi, T. Kinugawa, T. Hirayama, T. Koizumi, C. Yamada, and S. Ohtani, Chem. Phys. 295, 185 (2003).
8. J. H. D. Eland, S. S. W. Ho, and H. L. Worthington, Chem. Phys. 290, 27 (2003).
9. 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).
10. S. D. Price, Phys. Chem. Chem. Phys. 5, 1717 (2003).
11. D. Mathur, Phys. Rep. 391, 1 (2004).
12. J. Roithová and D. Schröder, Phys. Chem. Chem. Phys. 9, 2341 (2007).
13. R. W. Wetmore and R. K. Boyd, J. Phys. Chem. 90, 6091 (1986).
14. D. Cooper, Chem. Phys. Lett. 132, 377 (1986).
15. F. R. Bennett, Chem. Phys. Lett. 250, 40 (1996).
16. F. R. Bennett, A. D. J. Critchley, G. C. King, I. R. McNab, and R. C. Shiell, Chem. Phys. Lett. 372, 557 (2003).
17. L. G. M. Pettersson, L. Karlsson, M. P. Keane, A. N. de Brito, N. Correia, M. Larsson, L. Bröstrom, S. Mannervik, and S. Svensson, J. Chem. Phys. 96, 4884 (1992).
18. F. Penent, R. I. Hall, R. Panajotovi, J. H. D. Eland, G. Chaplier, and P. Lablanquie, Phys. Rev. Lett. 81, 3619 (1998).
19. M. Lundqvist, P. Baltzer, D. Edvardsson, L. Karlsson, and B. Wannberg, Phys. Rev. Lett. 75, 1058 (1995).
20. 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).
21. 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).
22. T. Šedivcová, P. R. Ždánská, V. Špirko, and J. Fišer, J. Chem. Phys. 124, 214303 (2006).
23. T. Šedivcová, V. Špirko, and J. Fišer, J. Chem. Phys. 125, 164308 (2006).
24. H.-J. Werner, P. J. Knowles, R. Lindh, MOLPRO, version 2002.1, a package of ab initio programs, 2003 (see http://www.molpro.net).
25. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
26. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
27. J. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
28. J. W. Cooley, Math. Comput. 15, 363 (1961).
29. R. J. LeRoy, " A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels.," University of Waterloo Chemical Physics Research Report No. CP-663, 2007 (http://leroy. uwaterloo.ca/programs/).
30. E. Y. Sidky and I. Ben-Itzhak, Phys. Rev. A 60, 3586 (1999).
31. A. U. Hazi and H. S. Taylor, Phys. Rev. A 1, 1109 (1970).
32. V. A. Mandelshtam, H. S. Taylor, V. Ryaboy, and N. Moiseyev, Phys. Rev. A 50, 2764 (1994).
33. N. Moiseyev, Phys. Rep. 302, 211 (1998).
34. E. F. van Dishoeck, M. C. van Hemert, A. C. Allison, and A. Dalgarno, J. Chem. Phys. 81, 5709 (1984).
35. T. Šedivcová-Uhlíková, P. R. Kaprálová -Ž d ánská, and V. Špirko, Int. J. Quantum Chem. 107, 2654 (2007).
36. C. E. Moore, Atomic Energy Levels (National Bureau of Standards, Washington, D.C., 1971), Vol. 1.
37. See EPAPS Document No. E-JCPSA6-128-011814 for the results comprising a complete set of Einstein coefficients and a plot of transition dipole moment function. For more information on EPAPS, see http://www.aip.org/pubservs/epaps. html.
38. M. J. Besnard, L. Hellner, and G. Dujardin, J. Chem. Phys. 89, 6554 (1988).
39. K. P. Huber and G. Herzberg, Constants of Diatomic Molecules, Molecular Spectra and Molecular Structure Vol. 4 (Van Nostrand-Reinhold, New York, 1979).