Improved results for the excited states of nitric oxide, including the B/C avoided crossing

Journal of Chemical Physics

Volumn 125, Issue 10, 2006, Pages

  Shi, Huancong ^a   East, Allan L L ^a  

^a UNIVERSITY OF REGINA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; ERROR ANALYSIS; FUNCTIONS; POTENTIAL ENERGY;

AB INITIO MULTIREFERENCE METHODS; NITRIC OXIDE (NO); POTENTIAL ENERGY SURFACE CURVES;

NITROGEN OXIDES;

EID: 33748678345     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2336214     Document Type: Article

References (39)

1. O. Kajimoto, K. Honma, and T. Kobayashi, J. Phys. Chem. 89, 2725 (1985).
2. Y. Naitoh, Y. Fijumura, O. Kajimoto, and K. Honma, Chem. Phys. Lett. 190, 135 (1992).
3. Y. Naitoh, Y. Fujimura, K. Honma, and O. Kajimoto, Chem. Phys. Lett. 205, 423 (1993).
4. Y. Naitoh, Y. Fujimura, K. Honma, and O. Kajimoto, J. Phys. Chem. 99, 13652 (1995).
5. V. Blanchet and A. Stolow, J. Chem. Phys. 108, 4371 (1998).
6. M. Tsubouchi, C. A. de Lange, and T. Suzuki, J. Chem. Phys. 119, 11728 (2003).
7. M. Tsubouchi and T. Suzuki, Chem. Phys. Lett. 382, 418 (2003).
8. A. V. Demyanenko, A. B. Potter, V. Dribinski, and H. Reisler, J. Chem. Phys. 117, 2568 (2002).
9. A. B. Potter, V. Dribinski, A. V. Demyanenko, and H. Reisler, J. Chem. Phys. 119, 7197 (2003).
10. V. Dribinski, A. B. Potter, I. Fedorov, and H. Reisler, Chem. Phys. Lett. 385, 233 (2004).
11. V. Dribinski, A. B. Potter, I. Fedorov, and H. Reisler, J. Chem. Phys. 121, 12353 (2004).
12. A. B. Potter, J. Wei, and H. Reisler, J. Phys. Chem. B 109, 8407 (2005).
13. O. Geßner, A. M. D. Lee, J. P. Shaffer et al., Science 311, 219 (2006).
14. S. V. Levchenko, H. Reisler, A. I. Krylov, O. Geßner, A. Stolow, H. Shi, and A. L. L. East, J. Chem. Phys. (to be published).
15. E. Miescher and K. P. Huber, in Spectroscopy, International Review of Science, Physical Chemistry, Series 2, edited by D. A. Ramsay (Butterworths, London, 1976), Vol. 3.
16. R. de Vivie and S. D. Peyerimhoff, J. Chem. Phys. 89, 3028 (1988).
17. R. de Vivie and S. D. Peyerimhoff, J. Chem. Phys. 90, 3660 (1989).
18. R. de Vivie-Riedle, M. C. van Hemert, and S. D. Peyerimhoff, J. Chem. Phys. 92, 3613 (1990).
19. H.-J. Werner, P. J. Knowles, M. Schütz et al., MOLPRO, a package of ab initio programs.
20. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985).
21. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
22. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
23. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
24. P. J. Knowles and H.-J. Werner, Theor. Chim. Acta 84, 95 (1992).
25. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
26. A. L. L. East, J. Chem. Phys. 109, 2185 (1998).
27. R. A. Kendall, T. H. Dunning Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
28. R. Polák and J. Fišer, Chem. Phys. Lett. 377, 564 (2003).
29. K. P. Huber and G. Herzberg, Constants of Diatomic Molecules, Molecular Spectra and Molecular Structure IV (Van Nostrand, New York, 1979).
30. M. R. Taherian, P. C. Cosby, and T. G. Slanger, J. Chem. Phys. 83, 3878 (1985).
31. K. Dressler and E. Miescher, J. Chem. Phys. 75, 4310 (1981).
32. E. Miescher, Can. J. Phys. 54, 2074 (1976).
33. F. Ackermann, H. Lefebvre-Brion, and A. L. Roche, Can. J. Phys. 50, 692 (1972).
34. R. Gallusser and K. Dressler, J. Chem. Phys. 76, 4311 (1982).
35. M. Hiyama and M. S. Child, J. Phys. B 35, 1337 (2002).
36. L. F. Zhu, Z. P. Zhong, Z. S. Yuan, W. H. Zhang, X. J. Liu, X. M. Jiang, K. Z. Xu, and J. M. Li, Chin. Phys. 11, 1149 (2002).
37. K. Yoshino, A. P. Thorne, J. E. Murray, A. S.-C. Cheung, A. L. Wong, and T. Imajo, J. Chem. Phys. 124, 054323 (2006).
38. A. Lagerqvist and E. Miescher, Can. J. Phys. 44, 1525 (1966).
39. See EPAPS Document No. E-JCPSA6-125-304633 for an ascii file of the state energies plotted in Fig. 4. 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).