Abstract
Three variants of the empirical molecular MT-potential of different types of complexity are constructed based on the analysis of the K-spectrum of nitrogen absorption in NO2 molecule. It is shown that the variant with the Watson sphere is the most realistic model. In the variants with the zero external molecular potential the intra-atomic potentials to a greater or lesser extent do not satisfy the physical criteria.
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Original Russian Text Copyright © 2007 by Yu. F. Migal and O. M. Kholodova
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Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No. 1, pp. 7–11, January–February, 2007.
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Migal, Y.F., Kholodova, O.M. Construction of empirical MT-potentials of molecules: Role of the Watson sphere. J Struct Chem 48, 1–5 (2007). https://doi.org/10.1007/s10947-007-0001-4
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DOI: https://doi.org/10.1007/s10947-007-0001-4