Abstract
We consider in a new statement the inverse problem of the theory of vibrational spectra of molecules, in which a theoretical spectral curve directly gets closer to the experimental one. A coefficient of correlation between the curves is used as a criterion of the closeness of the curves and as a functional of the inverse problem. The procedure developed for solving the inverse problem makes it possible to dispense with the preliminary referencing of frequencies in an experimental spectrum and with its expansion into elementary absorption bands.
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Gribov, L.A., Dement'ev, V.A. Solution of a Generalized Inverse Spectral Problem for Weakly Resolved Spectra Using a Coefficient of Correlation. Journal of Applied Spectroscopy 67, 1085–1091 (2000). https://doi.org/10.1023/A:1004153311979
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DOI: https://doi.org/10.1023/A:1004153311979