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26 January 1994 Application of Pade-forms for fitting and calculating of high-laying rotation-vibration energy levels in diatomic molecules
Vladimir F. Golovko, S. N. Mikhailenko, Vladimir G. Tyuterev
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Proceedings Volume 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy; (1994) https://doi.org/10.1117/12.166204
Event: High Resolution Molecular Spectroscopy: 11th Symposium and School, 1993, Moscow, Russian Federation
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.
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Vladimir F. Golovko, S. N. Mikhailenko, and Vladimir G. Tyuterev "Application of Pade-forms for fitting and calculating of high-laying rotation-vibration energy levels in diatomic molecules", Proc. SPIE 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy, (26 January 1994); https://doi.org/10.1117/12.166204
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KEYWORDS
Molecules
Absorption
Spectroscopy
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