A calculation of the rovibronic energies and spectrum of the B̃ 1A 1 electronic state of Si H 2

Journal of Chemical Physics

Volumn 123, Issue 24, 2005, Pages

  Gurout R ^a   Bunker, P R ^a   Jensen, Per ^b   Kraemer, W P ^c  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF WUPPERTAL   (Germany)

^c MAX PLANCK INSTITUT FÜR ASTROPHYSIK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENTS; ROTATION-VIBRATION SPECTRUM; ROVIBRONIC ENERGIES; SILYLENE;

CHEMICAL BONDS; COMPUTER SIMULATION; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; OLEFINS; POTENTIAL ENERGY;

SILANES;

EID: 29744439725     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2139676     Document Type: Article

References (18)

1. P. R. Bunker, P. Jensen, Y. Yamaguchi, and H. F. Schaefer III, J. Phys. Chem. 100, 18088 (1996).
2. G. Herzberg and J. W. C. Johns, Proc. R. Soc. London, Ser. A 295, 107 (1996).
3. S. N. Yurchenko, P. Jensen, Y. Li, R. J. Buenker, and P. R. Bunker, J. Mol. Spectrosc. 208, 136 (2001).
4. Y. Kim, A. V. Komissarov, G. E. Hall, and T. J. Sears, J. Chem. Phys. 123, 024306 (2005).
5. B. Ostojić, J. Mol. Spectrosc. 212, 130 (2002).
6. C. Winter and P. Millie, Chem. Phys. 174, 177 (1993).
7. Y. Muramoto, H. Ishikawa, and N. Mikami, J. Chem. Phys. 122, 154302 (2005).
8. P. Jensen, J. Mol. Spectrosc. 128, 478 (1988).
9. P. Jensen, J. Chem. Soc., Faraday Trans. 2 84, 1315 (1988).
10. P. Jensen, in Methods in Computational Molecular Physics, edited by, S. Wilson, and, G. H. F. Diercksen, (Plenum, New York, 1992).
11. P. Jensen, J. Mol. Spectrosc. 132, 429 (1988).
12. S. N. Yurchenko, P. R. Bunker, W. P. Kraemer, and P. Jensen, Can. J. Chem. 82, 694 (2004).
13. J. E. Rice and N. C. Handy, Chem. Phys. Lett. 107, 365 (1984).
14. I. Tokue and K. Yamasaki, J. Chem. Phys. 122, 144307 (2005).
15. Y. Yamaguchi, T. J. Van Huis, C. D. Sherrill, and H. F. Schaefer, Theor. Chem. Acc. 97, 341 (1997).
16. J. S. Francisco and R. Barnes, J. Chem. Phys. 88, 2334 (1988).
17. A. Kalemos, T. H. Dunning, Jr., and A. Mavridis, Mol. Phys. 102, 2597 (2004).
18. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research, Ottawa, 1998); see http://www.nrc.ca/cgi-bin/cisti/journals/rp/ rp2_book_e?mlist1_90