NUMERICAL EXPERIMENTS WITH CENTRIFUGALDISTORTION DATA
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Date
1969
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Ohio State University
Abstract
One of the major aims of spectrocopy is the extraction from the experimental data of certain parameters, which can be related to molecular properties such as structure, force fields, etc. In many instances the number of significant parameters is sufficiently great, and the mathematical relationship of the parameters to the measured spectrum is sufficiently complex, that the problem of sorting out the contribution of the arithmetical, measurement and model errors to the determination of the spectral parameters becomes a major problem in the spectral analysis. The use of large computers has made complex problems solvable by numerical methods, but only with an increased danger of misinterpreting the results. In an attempt to extract force field information from centrifugal distortion effects in the microwave spectra of $CF_{2}$ and $SF_{2}$, many aspects of this general problem have been encountered. The focus for this paper will be a discussion of how arithmetical, measurement, and model errors affect the analysis of the spectra and how these different contributions have been handled.
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Author Institution: National Bureau of Standards, Washington D.C.