Anharmonic vibrational levels of the two cyclic isomers of SiC3

Journal of Chemical Physics

Volumn 125, Issue 3, 2006, Pages

  Linguerri, Roberto ^a   Rosmus, Pavel ^a   Carter, Stuart ^b  

^a UNIVERSITÉ GUSTAVE EIFFEL   (France)

^b UNIVERSITY OF READING   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; IONIZING RADIATION; ISOMERS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY;

ELECTRON AFFINITIES; HARMONIC APROXIMATIONS; PHOTODETACHMENT; VIBRATIONAL WAVE FUNCTIONS;

SILICON COMPOUNDS;

EID: 33746271304     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2209693     Document Type: Article

References (35)

1. P. W. Merrill, Publ. Astron. Soc. Pac. 38, 175 (1926);
2. R. F. Sanford, Publ. Astron. Soc. Pac. ibid. 38, 177 (1926).
3. J. Cernicharo, C. A. Gottlieb, M. Guëlin, P. Thaddeus, and J. M. Vrtilek, Astrophys. J. 341, L25 (1989).
4. M. Ohishi, N. Kaifu, K. Kawaguchi, A. Murakami, S. Saito, S. Yamamoto, S.-I. Ishikawa, Y. Fujita, Y. Shiratori, and W. M. Irvine, Astrophys. J. 345, L83 (1989).
5. P. Thaddeus, S. E. Cummins, and R. A. Linke, Astrophys. J. 283, 45 (1984).
6. A. J. Apponi, M. C. McCarthy, C. A. Gottlieb, and P. Thaddeus, Astrophys. J. 516, L103 (1999).
7. A. Nakajima, T. Taguwa, K. Nakao, M. Gomei, R. Kishi, S. Iwata, and K. Kaya, J. Chem. Phys. 103, 2050 (1995).
8. M. C. McCarthy, A. J. Apponi, and P. Thaddeus, J. Chem. Phys. 110, 10645 (1999).
9. A. J. Apponi, M. C. McCarthy, C. A. Gottlieb, and P. Thaddeus, J. Chem. Phys. 111, 3911 (1999).
10. M. C. McCarthy, A. J. Apponi, and P. Thaddeus, J. Chem. Phys. 111, 7175 (1999).
11. I. Alberts, R. S. Grev, and H. F. Schaefer III, J. Chem. Phys. 93, 5046 (1990).
12. M. Gomei, R. Kishi, A. Nakajima, S. Iwata, and K. Kaya, J. Chem. Phys. 107, 10051 (1997).
13. J. Stanton, J. Gauss, and O. Christiansen, J. Chem. Phys. 114, 2993 (2001).
14. J. M. Rintelman and M. S. Gordon, J. Chem. Phys. 115, 1795 (2001).
15. K. W. Sattelmeyer, H. F. Schaefer III, and J. F. Stanton, J. Chem. Phys. 116, 9151 (2002).
16. K. Hald, A. Halkier, P. Jørgensen, S. Coriani, C. Hättig, and T. Helgaker, J. Chem. Phys. 118, 2985 (2003).
17. Y. Kurashige, H. Nakano, and K. Hirao, J. Phys. Chem. A 108, 3064 (2004).
18. J. M. Rintelman, M. S. Gordon, G. D. Fletcher, and J. Ivanic, J. Chem. Phys. 124, 34303 (2006).
19. R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Pt. II, p. 1047, and references therein.
20. G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
21. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
22. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989);
23. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. ibid. 98, 1358 (1993).
24. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995);
25. K. A. Peterson and T. H. Dunning, Jr., J. Chem. Phys. ibid. 117, 10548 (2002).
26. H. Nakano, R. Uchiyama, and K. Hirao, J. Comput. Chem. 23, 1166 (2002).
27. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
28. B. O. Roos, P. Taylor, and P. E. Siegbahn, Chem. Phys. 48, 157 (1980).
29. S. Carter, S. Culik, and J. M. Bowman, J. Chem. Phys. 107, 10458 (1997).
30. R. Linguerri, I. Navizet, P. Rosmus, S. Carter, and J. P. Maier, J. Chem. Phys. 122, 34301 (2005).
31. H.-J. Werner, P. J. Knowles, M. Schütz et al., MOLPRO is a package of ab initio programs, University College Cardiff, Consultants Limited, Cardiff, UK, 2003, http://www.molpro.net/
32. See EPAPS Document No. E-JCPSA6-124-309624 for getting the analytic form of the potentials. 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).
33. J. M. Bowman, J. Chem. Phys. 68, 608 (1978).
34. J. M. Bowman, Acc. Chem. Res. 19, 202 (1986).
35. K. M. Christoffel and J. M. Bowman, Chem. Phys. Lett. 85, 220 (1982).