Uncertainty, Sensitivity, Convergence, and Rounding in Performing and Reporting Least-Squares Fits

Journal of Molecular Spectroscopy

Volumn 191, Issue 2, 1998, Pages 223-231

  Le Roy, R J ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000033928     PISSN: 00222852     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmsp.1998.7646     Document Type: Review

References (38)

1. J. R. Taylor, "An Introduction to Error Analysis - The Study of Uncertainties in Physical Measurements," University Science Books, Mill Valley, CA, 1982.
2. W. H. Press, B. P. Flannery, S. Teukolsky, and W. T. Vetterling, "Numerical Recipies. The Art of Scientific Computing," Cambridge University Press, Cambridge, UK, 1986.
3. R. S. Ram, Z. Morbi, B. Guo, K.-Q. Zhang, P. F. Bernath, J. Vander Auwera, J. W. C. Johns, and S. P. Davis, Astrophys. J. Supp. Ser. 103, 247 (1996).
4. J. L. Dunham, Phys. Rev. 41, 713 (1932).
5. J. L. Dunham, Phys. Rev. 41, 721 (1932).
6. G. Herzberg, "Spectra of Diatomic Molecules," Van Nostrand, Toronto, Canada, 1950.
7. D. R. T. Appadoo, R. J. Le Roy, P. F. Bernath, S. Gerstenkorn, P. Luc, J. Vergès, J. Sinzelle, J. Chevillard, and Y. D'Aignaux, J. Chem. Phys. 104, 903 (1996).
8. A.-R. Hashemi-Attar, C. L. Beckel, W. N. Keepin, and S. A. Sonnleitner, J. Chem. Phys. 70, 3881 (1979).
9. R. J. Le Roy and W.-H. Lam, Chem. Phys. Lett. 71, 544 (1980).
10. J. W. Tromp and R. J. Le Roy, Can. J. Phys. 60, 26 (1982).
11. C. L. Beckel, R. B. Kwong, A.-R. Hashemi-Attar, and R. J. Le Roy, J. Chem. Phys. 81, 66 (1984).
12. J. W. Tromp and R. J. Le Roy, J. Mol. Spectrosc. 109, 352 (1985).
13. R. J. Le Roy and J. van Kranendonk, J. Chem. Phys. 61, 4750 (1974).
14. W. M. Kosman and J. Hinze, J. Mol. Spectrosc. 56, 93 (1975).
15. J. A. Coxon and P. G. Hajigeorgiou, Can. J. Phys. 94, 40 (1992).
16. H. G. Hedderich, M. Dulick, and P. F. Bernath, J. Chem. Phys. 99, 8363 (1993).
17. J. K. G. Watson, J. Mol. Spectrosc. 66, 500 (1977).
18. J.-L. Femenias, J. Mol. Spectrosc. 144, 212 (1990).
19. J. K. G. Watson, S. C. Foster, A. R. W. McKellar, P. Bernath, T. Amano, F. S. Pan, M. W. Crofton, R. S. Altman, and T. Oka, Can. J. Phys. 62, 1875 (1984).
20. R. J. Le Roy, "A Practical Guide to Least-Squares Fitting," University of Waterloo Chemical Physics Research Report CP-628R, 1998.
21. J. W. Tromp and R. J. Le Roy, in "37th Ohio State University Symposium on Molecular Spectroscopy." Paper RF14, The Ohio State University, Columbus, Ohio, 1982.
22. J. Tellinghuisen, Can. J. Phys. 62, 1933 (1984).
23. J. Tellinghuisen, J. Mol. Spectrosc. 137, 248 (1989).
24. J. Tellinghuisen, J. Mol. Spectrosc. 173, 308 (1995).
25. R. J. Le Roy, J. Chem. Phys. 101, 10217 (1994).
26. J. Tellinghuisen, J. Mol. Spectrosc. 141, 258 (1990).
27. C. E. Chuaqui, R. J. Le Roy, and A. R. W. McKellar, J. Chem. Phys. 101, 39 (1994).
28. W. E. Deming, "Statistical Adjustment of Data," Dover, New York, 1964.
29. D. L. Albritton, A. L. Schmeltekopf, and R. N. Zare, in "Molecular Spectroscopy: Modern Research" (K. Rao, Ed.), Vol. 2, Chap. 1, pp. 1-67, Academic Press, New York, 1976.
30. R. T. Birge, Phys. Rev. 40, 207 (1932).
31. J. Tellinghuisen, J. Mol. Spectrosc. 165, 255 (1994).
32. J. Tellinghuisen, J. Mol. Spectrosc. 179, 299 (1996).
33. M. R. Davies, J. C. Shelley, and R. J. Le Roy, J. Chem. Phys. 94, 3479 (1991).
34. R. J. Le Roy and R. B. Bernstein, Chem. Phys. Lett. 5, 42 (1970).
35. R. J. Le Roy and R. B. Bernstein, J. Chem. Phys. 52, 3869 (1970).
36. R. J. Le Roy, in "Molecular Spectroscopy" (R. Barrow, Ed.), Vol. 1, Specialist Periodical Report 3, pp. 113-176, Chemical Society of London, London, 1973.
37. P. F. Bernath, "Spectra of Atoms and Molecules," Oxford University Press, Oxford, New York, 1995.
38. K. J. Jordan, R. H. Lipson, N. A. McDonald, and R. J. Le Roy, J. Phys. Chem. 96, 4778 (1992).