Use of Cartesian coordinates in molecular spectroscopy of atmospheric gases

Anatoli S. Makhniov

doi:10.1117/12.783049

22 April 2008 Use of Cartesian coordinates in molecular spectroscopy of atmospheric gases

Anatoli S. Makhniov

Proceedings Volume 6936, Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics; 693609 (2008) https://doi.org/10.1117/12.783049
Event: Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 2007, Buryatia, Russian Federation

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.

Citation Download Citation

Anatoli S. Makhniov "Use of Cartesian coordinates in molecular spectroscopy of atmospheric gases", Proc. SPIE 6936, Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 693609 (22 April 2008); https://doi.org/10.1117/12.783049

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