Direct potential fit analysis of the X1Σg+ state of Rb2: Nothing else will do!

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3067-3076

  Seto, Jenning Y ^a   Le Roy, Robert J ^a   Vergès, Jean ^b   Amiot, Claude ^b  

^a UNIVERSITY OF WATERLOO   (Canada)

^b LABORATOIRE AIMÉ COTTON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; FLUORESCENCE; GROUND STATE; MATHEMATICAL MODELS; POTENTIAL ENERGY; RADIOISOTOPES;

BORN-OPPENHEIMER BREAKDOWN EFFECTS; DUNHAM EXPANSION; ISOTOPOMERS;

RUBIDIUM;

EID: 0034702634     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (62)

1. C. Amiot, J. Chem. Phys. 93, 8591 (1990).
2. M. Anderson, J. R. Ensher, M. R. Matthews, C. E. Wieman, and E. A. Cornell, Science 269, 198 (1995).
3. C. C. Tsai, R. S. Freeland, J. M. Vogels, H. M. J. M. Boesten, B. J. Verhaar, and D. J. Heinzen, Phys. Rev. Lett. 79, 1245 (1997).
4. J. M. Vogels, C. C. Tsai, R. S. Freeland, S. J. J. M. F. Kokkelmans, B. J. Verhaar, and D. Heinzen, Phys. Rev. A 56, R1067 (1997).
5. H. M. J. M. Boesten, A. J. Moerdijk, and B. J. Verhaar, Phys. Rev. A 54, R29 (1996).
6. J. P. Burke, Jr., J. L. Bohn, B. D. Esry, and C. H. Greene, Phys. Rev. Lett. 80, 2097 (1998).
7. J. P. Burke, Jr. and J. L. Bohn, Phys. Rev. A 59, 1303 (1999).
8. C. Gabbanini, A. Fioretti, A. Lucchesini, S. Gozzini, and M. Mazzoni, Phys. Rev. Lett. 84, 2814 (2000).
9. (a) J. M. Hutson, J. Phys. B 14, 851 (1981);
10. (b) J. M. Hutson, QCPE Bulletin, 2, No. 2, Program #435, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana.
11. A. N. Nesmeyanov, Vapor Pressure of the Chemical Elements (Elsevier, New York, 1963).
12. C. E. Fellows, C. Amiot, and J. Vergès, J. Chem. Phys. 93, 6281 (1990).
13. C. E. Fellows, R. F. Gutterres, A. P. C. Campos, J. Vergès, and C. Amiot, J. Mol. Spectrosc. 197, 19 (1999).
14. See EPAPS Document No. E-JCPSA6-113-019032 for ASCII files containing listings of the data used and of all the fitted parameters yielded by the present work. This document may be retrieved via the EPAPS home-page (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
15. R. J. Le Roy, J. Mol. Spectrosc. 191, 223 (1998).
16. G. Audi and A. H. Wapstra, Nucl. Phys. A 565, 1 (1993).
17. R. J. Le Roy, J. Mol. Spectrosc. 194, 189 (1999).
18. A. H. M. Ross, R. S. Eng, and H. Kildal, Opt. Commun. 12, 433 (1974).
19. P. R. Bunker, J. Mol. Spectrosc. 68, 367 (1977).
20. J. K. G. Watson, J. Mol. Spectrosc. 80, 411 (1980).
21. R. J. Le Roy, DSParFit 1.0. A Computer Program for Fitting Multi-Isotopomer Diatomic Molecule Spectra, University of Waterloo Chemical Physics Research Report CP-646, 2000. The source code and manual for this program may be obtained from the www site http:// theochem.uwaterloo.ca/~leroy.
22. J. L. Dunham, Phys. Rev. 41, 721 (1932).
23. S. Z. Moody and C. L. Beckel, Int. J. Quantum Chem., Symp. 3, 469 (1970).
24. D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf, and R. N. Zare, J. Mol. Spectrosc. 46, 25 (1973).
25. J. Tellinghuisen, Chem. Phys. Lett. 18, 544 (1973).
26. J. D. Brown, G. Burns, and R. J. Le Roy, Can. J. Phys. 51, 1664 (1973).
27. (a) R. Rydberg, Z. Phys. 73, 376 (1931);
28. (b) O. Klein, Z. Phys. ibid. 76, 226 (1932);
29. (c) R. Rydberg, Z. Phys. ibid. 80, 514 (1933);
30. (d) A. L. G. Rees, Proc. Phys. Soc. London 59, 998 (1947).
31. R. J. Le Roy, LEVEL 7.0. A Computer Program Solving the Radial Schrö-dinger Equation for Bound and Quasibound Levels, University of Waterloo Chemical Physics Research Report CP-642, 2000. The source code and manual for this program may be obtained from the www site http://theochem.uwaterloo.ca/~leroy.
32. R. J. Le Roy, RKR1. A Computer Program Implementing the First-Order RKR Method for Determining Diatom Potential Energy Curves from Spectroscopic Constants, University of Waterloo Chemical Physics Research Report CP-425, 1992. The source code and manual for this program may be obtained from the www site http://theochem.uwaterloo.ca/~leroy.
33. D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf, and R. N. Zare, J. Mol. Spectrosc. 46, 89 (1973).
34. J. M. Hutson, S. Gerstenkorn, P. Luc, and J. Sinzelle, J. Mol. Spectrosc. 96, 266 (1982).
35. D. R. T. Appadoo, R. J. Le Roy, P. F. Bernath et al., J. Chem. Phys. 104, 903 (1996).
36. A more sophisticated truncation procedure that cuts off the J, range at different points for different vibrational levels could also have been implemented here (Ref. 1), but it would not have changed this conclusion.
37. 2," Ph.D. thesis, Department of Physics, University of British Columbia, 1999.
38. R. J. Le Roy, Can. J. Phys. 52, 246 (1974).
39. W. M. Kosman and J. Hinze, J. Mol. Spectrosc. 56, 93 (1975).
40. C. R. Vidal and H. Scheingraber, J. Mol. Spectrosc. 65, 46 (1977).
41. J. A. Coxon, J. Mol. Spectrosc. 117, 361 (1986).
42. M. Gruebele, Mol. Phys. 69, 475 (1990).
43. R. Brühl, J. Kapetanakis, and D. Zimmermann, J. Chem. Phys. 94, 5865 (1991).
44. J. A. Coxon and P. G. Hajigeorgiou, J. Mol. Spectrosc. 150, 1 (1991).
45. H. G. Hedderich, M. Dulick, and P. F. Bernath, J. Chem. Phys. 99, 8363 (1993).
46. J. Tellinghuisen, J. Mol. Spectrosc. 173, 223 (1995).
47. A. Šurkus, Chem. Phys. Lett. 279, 236 (1997).
48. J. Y. Seto, Z. Morbi, F. Charron, S. K. Lee, P. F. Bernath, and R. J. Le Roy, J. Chem. Phys. 110, 11 756 (1999).
49. P. G. Hajigeorgiou and R. J. Le Roy, J. Chem. Phys. 112, 3949 (2000).
50. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1964).
51. J. O. Hirschfelder and W. J. Meath, in Intermolecular Forces, Vol. 12 of Advances Chemical Physics, edited by J. O. Hirschfelder (Interscience, New York, 1967), pp. 3-106.
52. R. J. Le Roy and R. B. Bernstein, J. Chem. Phys. 52, 3869 (1970).
53. J. Y. Seto, Direct fitting of analytic potential functions to diatomic molecule spectroscopic data, M.Sc. thesis, Department of Chemistry, University of Waterloo, 2000.
54. A. Derevianko, W. R. Johnson, M. S. Safronova, and J. F. Babb, Phys. Rev. Lett. 82, 3589 (1999).
55. J. A. Coxon and P. G. Hajigeorgiou, J. Mol. Spectrosc. 193, 306 (1999).
56. (a) R. J. Le Roy and R. B. Bernstein, Chem. Phys. Lett. 5, 42 (1970);
57. (b) R. J. Le Roy and R. B. Bernstein, J. Chem. Phys. 52, 3869 (1970).
58. R. J. Le Roy, J. Chem. Phys. 73, 6003 (1980).
59. R. J. Le Roy and W.-H. Lam, Chem. Phys. Lett. 71, 544 (1980).
60. R. J. Le Roy, J. Chem. Phys. 101, 10 217 (1994).
61. R. J. Le Roy, GvNDE. A Computer Program for Performing "Near-Dissociation-Expansion" Fits to Diatomic Molecule Vibrational Energies. The source code for this program may be obtained by sending a request by e-mail to the author at "leroy@UWaterloo.ca."
62. M. Marinescu, H. R. Sadeghpour, and A. Dalgarno, Phys. Rev. A 49, 982 (1994).