COMPARISON OF EXPERIMENTAL AND CALCULATED OPTICAL MOLECULAR-SPECTRA AND STATEMENT OF GENERALIZED INVERSE SPECTRAL PROBLEM

The general problem of comparison of results of computer and common ex periments in molecular spectroscopy for the solution of inverse spectr al problems and problems of identification of individual compounds and mixtures with a low number of components with the help of expert syst ems is considered. It is shown that such a comparison can be made, und er the conditions of strong overlap of bands and lines corresponding t o the individual transitions, from a set of integrated absorptions in broad spectral intervals bounded in a special way and from spectral de pendences of the integrated absorption coefficients. The method makes it possible to use only directly calculated quantities without introdu cing additional empirical values of the band half-widths and correspon ds to the statement of the generalized inverse spectral problem.