The potential energy curves of low-lying electronic states of S 2O

Journal of Chemical Physics

Volumn 128, Issue 18, 2008, Pages

  Han, Huixian ^a   Suo, Bingbing ^a   Jiang, Zhenyi ^a   Wang, Yubin ^a   Wen, Zhenyi ^a,b  

^a NORTHWEST UNIVERSITY   (China)

^b CHONGQING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CURVE FITTING; ELECTRONIC STATES; EXCITED STATES; GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR INTERACTIONS; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; SULFUR COMPOUNDS;

ADIABATIC TRANSITION ENERGIES; ASYMMETRIC BENT MOLECULES; MULTIREFERENCE CONFIGURATION INTERACTION; S-S STRETCHING VIBRATION LEVELS; SYMMETRIC BENT MOLECULES;

POTENTIAL ENERGY;

SULFUR; SULFUR OXIDE;

ALGORITHM; ARTICLE; CHEMISTRY; ELECTRON; ENERGY TRANSFER; QUANTUM THEORY;

ALGORITHMS; ELECTRONS; ENERGY TRANSFER; QUANTUM THEORY; SULFUR; SULFUR OXIDES;

EID: 43949103761     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2917236     Document Type: Article

References (33)

1. P. W. Schenk, Z. Anorg. Allg. Chem. 211, 150 (1933).
2. D. J. Meschi and R. J. Myers, J. Am. Chem. Soc. 0002-7863 10.1021/ja01605a002 78, 6220 (1956); D. J. Meschi and R. J. Myers, J. Mol. Spectrosc. 3, 405 (1959).
3. R. K. Cook, G. Winnewisser, and D. C. Lindsey, J. Mol. Spectrosc. 46, 276 (1973).
4. E. Tiemann, J. Hoeft, F. J. Lovas, and D. R. Johnson, J. Chem. Phys. 60, 5000 (1974).
5. A. V. Jone, J. Chem. Phys. 18, 1263 (1950).
6. U. Blukis and R. J. Myers, J. Phys. Chem. 69, 1154 (1965).
7. A. G. Hopkins, S-Y. Tang, and C. W. Brown, J. Am. Chem. Soc. 0002-7863 10.1021/ja00792a007 95, 3486 (1973); A. G. Hopkins, F. P. Daly, and C. W. Brown, J. Phys. Chem. 79, 1849 (1975).
8. J. Lindenmayer and H. Jones, J. Mol. Spectrosc. 0022-2852 10.1016/0022-2852(85)90192-4 112, 71 (1985); J. Lindenmayer, H. D. Rudolph, and H. Jones, J. Mol. Spectrosc. 0022-2852 10.1016/0022-2852(86)90201-8 119, 56 (1986); J. Lindenmayer, J. Mol. Spectrosc. 116, 315 (1986).
9. G. Lakshminarayana, J. Mol. Spectrosc. 55, 141 (1975).
10. H. Cordes, Z. Phys. 0044-3328 105, 251 (1937); E. Kondrat eva and V. Kondrat eva, Zh. Fiz. Khim. 14, 1528 (1940); J. O. P. McBride, Ph.D. thesis, McMaster University, 1968.
11. K.-E. Hallin, A. J. Merer, and D. J. Milton, Can. J. Phys. 55, 1858 (1977).
12. J. B. Foresman, M. Head-Gordon, J. A. Pople, and J. A. Frisch, J. Phys. Chem. 96, 135 (1992).
13. Q. Zhang, P. Dupre, B. Grzybowski, and P. H. Vaccaro, J. Chem. Phys. 103, 67 (1995).
14. T. J. Dudley and M. R. Hoffmann, Mol. Phys. 101, 1303 (2003).
15. W. J. Lo, Y. J. Wu, and Y. P. Lee, J. Chem. Phys. 117, 6655 (2002).
16. R. O. Jones, Chem. Phys. Lett. 125, 221 (1986).
17. T. Fueno and R. J. Buenker, Theor. Chim. Acta 73, 123 (1988).
18. J. Ivanic, G. J. Atchity, and K. Ruedenberg, J. Chem. Phys. 107, 4307 (1997).
19. Y. Wang, Z. Wen, Q. Du, and Z. Zhang, J. Comput. Chem. 13, 187 (1992).
20. Y. Wang, G. Zhai, B. Suo, Z. Gan, and Z. Wen, Chem. Phys. Lett. 375, 134 (2003).
21. B. Suo, G. Zhai, Y. Wang, Z. Wen, X. Hu, and L. Li, J. Comput. Chem. 26, 88 (2005).
22. Y. Wang, H. Han, G. Zhai, B. Suo, and Z. Wen, Sci. China, Ser. B: Chem. 47, 276 (2004).
23. Q. Peng, Y. Wang, B. Suo, Q. Shi, and Z. Wen, J. Chem. Phys. 121, 778 (2004).
24. GAMESS version (13 February 2002) M. W. Schmidt, K. K. Baldridge, J. A. Boatz, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
25. K. Tsukiyama, D. Kobayashi, K. Obi, and I. Tanaka, Chem. Phys. 84, 337 (1984).
26. W. J. Lo, Y. J. Wu, and Y. P. Lee, J. Phys. Chem. A 107, 6944 (2003).
27. H. Han, Q. Peng, Z. Wen, and Y. Wang, Chin. Phys. 54, 78 (2005).
28. H. Romanowski, J. M. Bowman, and L. B. Harding, J. Chem. Phys. 82, 4155 (1985).
29. L. B. Harding and W. C. Ermler, J. Comput. Chem. 6, 13 (1985).
30. G. Herzberg, Electronic Spectra of Polyatomic Molecules (Van Nostrand, New York, 1966).
31. T. Müller, P. H. Vaccaro, F. Ṕrez-Bernal, and F. Iachello, J. Chem. Phys. 111, 5038 (1999).
32. D. J. Clouthier and M. L. Rutherford, Chem. Phys. 127, 189 (1988).
33. J. Berkowitz, J. H. D. Eland, and E. H. Appelman, J. Chem. Phys. 66, 2183 (1977).