Inverse problems of vibrational spectroscopy. Transl. from the Russian (Q1975132)

The book is an expanded and revised edition of the original, published in Russian by the Moscow State University in 1993. Using the information extracted from experimental vibrational spectra and the theoretical apparatus of classical and quantum mechanics the characteristics of intramolecular force are determined. Model notions are formulated and applied to the calculation. The eleven chapters treat the following aspects: physical model of molecular vibrations, full statement of the vibrational problem, consideration of the mathematical model for molecular vibration analysis, direct and inverse problems, vibrational problem in internal coordinates, use of the redundant coordinate system, vibrational problem in symmetry coordinates, numerical methods, analysis of band intensities in vibrational spectra of polyatomic molecules, numerical implementation of algorithms, examples of molecular force field calculations, joint treatment of ab initio and experimental data with the Tikhonov regularization method.