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Proceedings Paper

About invariance of the potential function in Cartesian coordinates according to the isotope substitution
Author(s): Anatoli S. Makhniov
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Paper Abstract

On the basis of the analysis of influence of isotope substitution on system of the electronic and nuclear equations for any molecular system conditions of invariance are formulated relatively to the isotope substitution surfaces of the potential energy expressed in the Cartesian coordinates. Except for that it is shown, that this property of potential function is the consequence of the appropriate property of this function expressed in curvilinear internal coordinates, that, in its turn, allows at theoretical research of vibration - rotation spectra of isotope substituted molecules, and also at the solution of a direct and the inverse anharmonic problems to avoid the use of curvilinear internal coordinates, having replaced them by Cartesian.

Paper Details

Date Published: 12 December 2006
PDF: 6 pages
Proc. SPIE 6580, 15th Symposium on High-Resolution Molecular Spectroscopy, 65800B (12 December 2006); doi: 10.1117/12.724894
Show Author Affiliations
Anatoli S. Makhniov, Vyatka State Univ. (Russia)

Published in SPIE Proceedings Vol. 6580:
15th Symposium on High-Resolution Molecular Spectroscopy
Yurii N. Ponomarev; Semen N. Mikhailenko; Leonid N. Sinitsa, Editor(s)

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