Spectroscopically determined potential energy surface of H216O up to 25 000 cm-1

Journal of Chemical Physics

Volumn 118, Issue 5, 2003, Pages 2124-2129

  Shirin, Sergei V ^a   Polyansky, Oleg L ^a   Zobov, Nikolai F ^a   Barletta, Paolo ^b   Tennyson, Jonathan ^b  

^a INSTITUTE OF APPLIED PHYSICS   (Russian Federation)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; KINETIC ENERGY; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; RELATIVITY; WATER;

BORN-OPPENHEIMER SURFACE; LAMB SHIFT; ROTATIONAL NONADIABATIC EFFECTS;

MOLECULAR DYNAMICS;

EID: 0037326621     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1532001     Document Type: Article

References (46)

1. B. M. Dinelli, O. L. Polyansky, and J. Tennyson, J. Chem. Phys. 103, 10433 (1995).
2. B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 163, 71 (1994).
3. P. C. Gomez and P. Jensen, J. Mol. Spectrosc. 185, 282 (1997).
4. V. G. Tyuterev, S. A. Tashkun, P. Jensen, A. Barbe, and T. Cours, Chem. Phys. Lett. 198, 57 (1999).
5. J. Zunga, M. Alacid, A. Bastida, F. J. Carvajal, and A. Requena, J. Mol. Spectrosc. 195, 137 (1999).
6. V. G. Tyuterev, S. A. Tashkun, and D. W. Schwenke, Chem. Phys. Lett. 348, 223 (2001).
7. P. Jensen, R. J. Buenker, J. P. Gu, G. Osmann, and P. R. Bunker, Can. J. Phys. 79, 641 (2001).
8. O. L. Polyanski, J. Mol. Spectrosc. 112, 79 (1985).
9. S. Carter and N. C. Handy, J. Chem. Phys. 87, 4294 (1987).
10. L. Halonen and T. Carrington, Jr., J. Chem. Phys. 88, 4171 (1988).
11. P. Jensen, J. Mol. Spectrosc. 133, 438 (1989).
12. C. D. Paulse and J. Tennyson, J. Mol. Spectrosc. 168, 313 (1994).
13. O. L. Polyansky, P. Jensen, and J. Tennyson, J. Chem. Phys. 105, 6490 (1996).
14. O. L. Polyansky, P. Jensen, and J. Tennyson, J. Chem. Phys. 101, 7651 (1994).
15. P. Jensen, S. A. Tashkun, and V. G. Tyuterev, J. Mol. Spectrosc. 168, 271 (1994).
16. A. R. Hoy, I. M. Mills, and G. Strey, Mol. Phys. 24, 1265 (1972).
17. D. Xie and G. Yan, Chem. Phys. Lett. 248, 409 (1996).
18. H. Partridge and D. W. Schwenke, J. Chem. Phys. 106, 4618 (1997).
19. J. H. Schryber, O. L. Polyansky, P. Jensen, and J. Tennyson, J. Mol. Spectrosc. 185, 234 (1997).
20. J. Tennyson, P. Barletta, M. A. Kostin, O. L. Polyansky and N. F. Zobov, Spectrochim. Acta, Part A 58, 663 (2002).
21. N. F. Zobov, O. L. Polyansky, C. R. Le Sueur, and J. Tennyson, Chem. Phys. Lett. 260, 381 (1996).
22. D. W. Schwenke, J. Phys. Chem. 105, 2352 (2001).
23. J. Tennyson, N. F. Zobov, R. Williamson, O. L. Polyansky, and P. F. Bernath, J. Phys. Chem. Ref. Data 30, 735 (2001).
24. A. G. Császár, J. S. Kain, O. L. Polyansky, N. F. Zobov, and J. Tennyson, Chem. Phys. Lett. 293, 317 (1998)
25. A. G. Császár, J. S. Kain, O. L. Polyansky, N. F. Zobov, and J. Tennyson, Chem. Phys. Lett. 312, 613(E) (1999).
26. H. M. Quiney, P. Barletta, G. Tarczay, A. G. Császár O. L. Polyansky, and J. Tennyson, Chem. Phys. Lett. 344, 413 (2001).
27. P. Pyykkö, K. G. Dyall, A. G. Császár, G. Tarczay, O. L. Polyansky, and J. Tennyson, Phys. Rev. A 63, 024502 (2001).
28. B. T. Sutcliffe and J. Tennyson, Int. J. Quantum Chem. 39, 183 (1991).
29. J. Tennyson and B. T. Sutcliffe, Int. J. Quantum Chem. 42, 941 (1992).
30. J. S. Kain, O. L. Polyansky, and J. Tennyson, Chem. Phys. Lett. 317, 365 (2000).
31. B. Gazdy and J. M. Bowman, J. Chem. Phys. 95, 6309 (1991).
32. M. Meuwly and J. M. Hutson, J. Chem. Phys. 110, 8338 (1999).
33. P. Barletta, Ph.D. thesis, University College London, 2002.
34. A. J. C. Varandas, J. Chem. Phys. 105, 3524 (1996).
35. P. Bunker and R. Moss, Mol. Phys. 33, 417 (1977).
36. C. Schwartz and R. J. Le Roy, J. Mol. Spectrosc. 121, 420 (1987).
37. P. R. Bunker and R. E. Moss, J. Mol. Spectrosc. 80, 217 (1980).
38. O. L. Polyansky and J. Tennyson, J. Chem. Phys. 110, 5056 (1999).
39. J. Tennyson, J. R. Henderson, and N. G. Fulton, Comput. Phys. Commun. 86, 175 (1995).
40. J. Tennyson, M. A. Kostin, P. Barletta, G. J. Harris, J. Ramanlal, O. Polyansky, and N. F. Zobov, Comput. Phys. Commun. (to be published).
41. O. L. Polyansky N. F. Zobov, S. Viti, and J. Tennyson, J. Mol. Spectrosc. 189, 291 (1998).
42. D. W. Schwenke, J. Mol. Spectrosc. 190, 397 (1998).
43. M. Carleer et al., J. Chem. Phys. 111, 2444 (1999).
44. 16O levels we regard as suspicious (file mislev.txt) and the reassigned transitions (reass.text). A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
45. N. F. Zobov et al., J. Chem. Phys. 113, 1546 (2000).
46. C. Camy-Peyret, J. M. Flaud, J. Y. Mandin, J. P. Chevillard, J. Brault, D. A. Ramsay, M. Vervloet, and J. Chauville, J. Mol. Spectrosc. 113, 208 (1985).