Abstract
Solution of the inverse vibrational problem (IVP) when the dependent coordinates are excluded leads to a linear combination of the molecular force constants, of very limited usefulness for a series of related compounds. In this work we consider the question of separating these combinations during the solution of the IVP in a system of dependent coordinates. Such a solution is obtained by introducing a perturbation into the matrix of kinematic coefficients with the help of a certain self-consistent matrix. We obtain intrinsic force constants for tetrahedral hydrides (methane, silane, and germane) which reproduce experimental frequency spectra well.
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Three Hundredth Anniversary of the Reunion of the Ukraine with Russia State University, Dnepropetrovsk
Translated from Izvestiya Uchebnykh Zavedenii, Fizika, No. 8, pp. 26–30, August, 1987.
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Yakubenko, V.P., Kovalenko, N.F. & Morozov, V.P. Perturbation method for solving the inverse vibrational problem in dependent coordinates. Soviet Physics Journal 30, 664–667 (1987). https://doi.org/10.1007/BF00895939
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DOI: https://doi.org/10.1007/BF00895939