Abstract
The construction algorithm is proposed for the internal rotation coordinates in polyatomic molecules. It is based on the properties of the matrix of kinematic coefficients when an excessive system of natural coordinates is introduced. The approximations providing the separation of variables are considered. The exact form of the kinetic energy operator is given.
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References
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Original Russian Text Copyright © 2007 by L. A. Gribov and I. V. Mikhailov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No.1, pp.159–162, January–February, 2007.
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Gribov, L.A., Mikhailov, I.V. Separation of variables and search algorithm for internal rotation coordinates and kinematic coefficients in the theory of nuclear motions in polyatomic molecules. J Struct Chem 48, 161–165 (2007). https://doi.org/10.1007/s10947-007-0024-x
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DOI: https://doi.org/10.1007/s10947-007-0024-x