Comparison of quantum,semi-classical and classical methods in the calculation of nitrogen self-broadened linewidths |
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| Authors: | Franck Thibault Laura Gomez Sergey V. Ivanov Oleg G. Buzykin Christian Boulet |
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| Affiliation: | 1. Institut de Physique de Rennes, UMR CNRS 6251, Université de Rennes I, Campus de Beaulieu, Ba?t 11B, F-35042 Rennes, France;2. Atmospheric Research and Instrumentation Branch, Instituto Nacional de Tecnica Aerospacial (INTA), 28850 Torrejon de Ardoz, Madrid, Spain;3. Institute on Laser and Information Technologies, Russian Academy of Sciences, 2 Pionerskaya Str., 142190 Troitsk, Moscow Region, Russia;4. Central Aerohydrodynamic Institute (TsAGI), Zhukovski, Moscow Region 140160, Russia;5. Institut des Sciences Moléculaires d''Orsay, UMR CNRS 8214, Université Paris-Sud 11, F-91405 Orsay, France |
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| Abstract: | We perform dynamical calculations on two robust N2–N2 potential energy surfaces in order to intercompare pressure broadening coefficients derived from close coupling and coupled states quantum dynamical methods, the semi-classical model of Robert and Bonamy and a full classical method. The coupled states and full classical results compare well with the experimental results or with close coupling values when available. This study confirms that the classical method is a good alternative at room and high temperatures to quantum dynamical methods. The results obtained using the semi-classical method however deviate from the other sets of data at all temperatures considered here (77–2400 K). |
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