12 January 2004 Global fitting of vibration-rotation line positions of acetylene molecule in the far- and middle-infrared regions
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Proceedings Volume 5311, 14th Symposium on High-Resolution Molecular Spectroscopy; (2004); doi: 10.1117/12.555541
Event: 14th Symposium on High-Resolution Molecular Spectroscopy, 2003, Krasnoyarsk, Russian Federation
Abstract
Using the effective Hamiltonian suggested in (V.I. Perevalov, E.I. Lobodenko, and J.-L. Teffo, "Reduced effective Hamiltonian for global fitting of C2H2 rovibrational lines", Proceedings of Twelfth Symposium and School on High-Resolutions Molecular Spectroscopy. SPIE. 3090, 143-149, 1997) the global fitting of the vibration-rotation line positions of acetylene molecule in the spectral range 0 - 9700 cm-1 has been performed. The effective Hamiltonian is based on the assumption of the cluster structure of vibrational energy levels. A set of 147 effective Hamiltonian parameters, which consists of 90 diagonal and 57 resonance parameters, has been fitted to 7291 line positions of 109 bands, collected from 10 different experimental sources. The RMS deviation of 0.0045 cm-1 has been achieved.
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Oleg M. Lyulin, Valery I. Perevalov, Jean-Luc Teffo, "Global fitting of vibration-rotation line positions of acetylene molecule in the far- and middle-infrared regions", Proc. SPIE 5311, 14th Symposium on High-Resolution Molecular Spectroscopy, (12 January 2004); doi: 10.1117/12.555541; http://dx.doi.org/10.1117/12.555541
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KEYWORDS
Molecules

Molecular spectroscopy

Oscillators

Modeling

Atmospheric optics

Electroluminescence

Far infrared

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