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Proceedings Paper

Use of Cartesian coordinates in molecular spectroscopy of atmospheric gases
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. Expressions for classical and quantum-mechanical Hamiltonians of normal molecule in Cartesian coordinates are obtained.

Paper Details

Date Published: 22 April 2008
PDF: 8 pages
Proc. SPIE 6936, Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 693609 (22 April 2008); doi: 10.1117/12.783049
Show Author Affiliations
Anatoli S. Makhniov, Vyatka State Univ. (Russia)

Published in SPIE Proceedings Vol. 6936:
Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics
Gennadii G. Matvienko; Victor A. Banakh, Editor(s)

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