The electronic transition moment function for the B0u+(3Π)↔X1Σ g+ transition in I2

Journal of Chemical Physics

Volumn 106, Issue 4, 1997, Pages 1305-1308

  Tellinghuisen, Joel ^a  

^a VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; FUNCTIONS; INVERSE PROBLEMS; LEAST SQUARES APPROXIMATIONS; MOLECULAR VIBRATIONS; POLYNOMIALS;

ELECTRON TRANSITION STRENGTH; GAUSS-CHEBYSHEV QUADRATURE; INTERNUCLEAR DISTANCE; INVERSE HESSIAN METHOD; LEAST SQUARES INVERSION; RADIATIVE DECAY RATE;

ELECTRON TRANSITIONS;

EID: 0030735160     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473971     Document Type: Article

References (32)

1. J. Tellinghuisen, Adv. Chem. Phys. 60, 299 (1985).
2. P. A. Fraser, Can. J. Phys. 32, 516 (1954).
3. S. Gerstenkorn and P. Luc, J. Phys. France 46, 867 (1985).
4. F. Martin, R. Bacis, S. Churassy, and J. Verges, J. Mol. Spectrosc. 116, 71 (1986).
5. R. N. Zare, J. Chem. Phys. 40, 1934 (1964).
6. A. Chutjian and T. C. James, J. Chem. Phys. 51, 1242 (1969).
7. L. Brewer and J. Tellinghuisen, J. Chem. Phys. 56, 3939 (1972).
8. J. Tellinghuisen, J. Chem. Phys. 58, 2821 (1973).
9. M. Brith, M. D. Rowe, O. Schnepp, and P. J. Stephens, Chem. Phys. 9, 57 (1975).
10. J. B. Koffend, R. Bacis, and R. W. Field, J. Chem. Phys. 70, 2366 (1979).
11. K.A. Truesdell, R. A. Keller, and E. F. Zalewski, J. Chem. Phys 73, 1117 (1980).
12. J. Vigué, M. Broyer, and J. C. Lehmann, J. Phys. France 42, 961 (1981).
13. T. K. Balasubramanian, G. L. Bhale, M. N. Dixit, and N. A. Narasimham, J. Mol. Spectrosc. 88, 259 (1981).
14. J. Tellinghuisen, J. Chem. Phys. 76, 4736 (1982).
15. D. Kirillov, J. Mol. Spectrosc. 99, 228 (1983).
16. G. L. Bhale, S. F. Ahmad, and S. P. Reddy, J. Phys. B 18, 645 (1985)
17. M. Lamrini, R. Bacis, D. Cerny, S. Churassy, P. Crozet, and A. J. Ross, J. Chem. Phys. 100, 8780 (1994).
18. J. Tellinghuisen, J. Quant. Spectrosc. Radiat. Transfer 19, 149 (1978).
19. J. Tellinghuisen, Chem. Phys. Lett. 105, 241 (1984).
20. A. V. Stolyarov and V. I. Pupyshev. Phys. Rev. A 49, 1693 (1994).
21. J. Tellinghuisen and P. S. Julienne, J. Chem. Phys. 81, 5779 (1984).
22. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1986).
23. J. Tellinghuisen, Anal. Chem. 65, 1277 (1993).
24. W. E. Deming, Statistical Adjustment of Data (Dover, New York, 1964).
25. J. Tellinghuisen, J. Mol. Spectrosc. 141, 258 (1990).
26. J. Vigué, M. Broyer, and J. C. Lehmann, J. Phys. France 42, 937 (1981).
27. J. Vigué, M. Broyer, and J. C. Lehmann, J. Phys. France 42, 949 (1981).
28. The shortfall also seems to be about 10% greater for v′=15 than indicated in Table I of Ref. 16. In light of this disparity I have double checked the reliability of the computational approximations inherent in Eqs. (7) and (8) and found them good to within ∼0.3%, which is consistent with the findings in Ref. 21.
29. 3(R)Rn>.
30. D. T. Radzykewycz, Ph.D. thesis, Vanderbilt University, Nashville, TN, 1996.
31. The level of agreement among the various data sets recorded by Radzykewycz was much lower than might be expected from the nature of the experiment and the apparent quality of the data, making the scatter in the final results large. We attribute these difficulties to subtle problems which seem to plague quantitative intensity work over such a large wavelength range, where instrumental response functions can vary by several orders of magnitude.
32. 2(R) for R<3 Å, dropping to very small values for R>5 Å. The large "model play" in the 3-5 Å region can thus be seen as an indicator of the lack of sensitivity of the method in this region rather than an overall arbitrariness in the method itself.