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Proceedings Paper

Variational calculations of high-J rovibrational states of the ozone molecule from empirically determined isotopically invariant potential energy surface
Author(s): Vladimir G. Tyuterev; Sergey A. Tashkun; David W. Schwenke; Alain Barbe
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Paper Abstract

The potential energy function of the ozone molecule empirically optimised to the largest set of spectroscopical high-resolution data of nine isotopomers 16O3, 16O16O18O, 16O18O16O, 16O18O18O, 18O16O18O, 18O3, 16O16O17O, 16O17O16O, and 16O17O17O used for this purpose so far is reported. The average accuracy of vibrational calculations for about sixty measured bands for nine isotopic species up to 3800 cm-1 is about 0.02cm-1. Reported variational calculations of high-J rovibrational states show a comparable accuracy up to J=45 for fundamental bands. The related global predictions were found very useful for the band and isotopic assignments of dense and complicated 18O enriched spectra recorded in Reims University and containing overlapping bands of six 18O enriched ozone isotopomers simultaneously.

Paper Details

Date Published: 12 January 2004
PDF: 9 pages
Proc. SPIE 5311, 14th Symposium on High-Resolution Molecular Spectroscopy, (12 January 2004); doi: 10.1117/12.545644
Show Author Affiliations
Vladimir G. Tyuterev, Univ. de Reims (France)
Sergey A. Tashkun, Institute of Atmospheric Optics (Russia)
David W. Schwenke, NASA Ames Research Ctr. (United States)
Alain Barbe, Univ. de Reims (France)

Published in SPIE Proceedings Vol. 5311:
14th Symposium on High-Resolution Molecular Spectroscopy
Leonid N. Sinitsa; Semen N. Mikhailenko, Editor(s)

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