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Proceedings Paper

Application of Pade-forms for fitting and calculating of high-laying rotation-vibration energy levels in diatomic molecules
Author(s): Vladimir F. Golovko; S. N. Mikhailenko; Vladimir G. Tyuterev
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Paper Abstract

The Pade-technique, developed before, along with the RKR-method is used for describing the absorption frequencies and energy levels of diatomic molecules. The inner wall of the potential energy curve is extrapolated from the force field adjusted in the fitting of low-laying energy levels, and a long-range part of the potential energy curve near dissociation is recovered by application of the RKR-method. The latter uses the extrapolated values of the vibrational energy levels. The similar calculations have been made through the adjusted spectroscopic parameters obtained by a phenomenological Pade-approach. Ab initio energies of the H2 molecule have been exploited to test the Pade-models.

Paper Details

Date Published: 26 January 1994
PDF: 7 pages
Proc. SPIE 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy, (26 January 1994); doi: 10.1117/12.166204
Show Author Affiliations
Vladimir F. Golovko, Institute of Atmospheric Optics (Russia)
S. N. Mikhailenko, Institute of Atmospheric Optics (Russia)
Vladimir G. Tyuterev, Institute of Atmospheric Optics (Russia)

Published in SPIE Proceedings Vol. 2205:
11th Symposium and School on High-Resolution Molecular Spectroscopy
Alexander I. Nadezhdinskii; Yu V. Ponomarev; Leonid N. Sinitsa, Editor(s)

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