Inverse problems of vibrational spectroscopy. Transl. from the Russian (Q1975132): Difference between revisions
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Latest revision as of 05:26, 5 March 2024
scientific article
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English | Inverse problems of vibrational spectroscopy. Transl. from the Russian |
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Inverse problems of vibrational spectroscopy. Transl. from the Russian (English)
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6 April 2000
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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.
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inverse problems
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vibrational spectroscopy
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improperly posed problems
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molecular vibrations
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polyatomic molecules
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algorithms
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Tikhonov regularization method
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