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Collisional line broadening in the atmosphere of light particles: problems and solutions in the framework of semiclassical treatment
Author(s) -
Buldyreva J.,
Ivanov S. V.,
Nguyen L.
Publication year - 2005
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1283
Subject(s) - semiclassical physics , computation , perturbation (astronomy) , laser linewidth , line (geometry) , physics , perturbation theory (quantum mechanics) , chemistry , statistical physics , classical mechanics , quantum mechanics , computer science , mathematics , quantum , algorithm , laser , geometry
Abstract For the case of perturbation by light particles, the computation of spectral line parameters by traditional semiclassical approaches reveals the problem of translational energy conservation. The rototranslational energy balance is, however, easily maintained within classical molecular dynamics. The line broadening of two ‘problematic’ systems, C 2 H 2 –He and CO 2 –He, is addressed from these two different points of view. In the framework of a traditional semiclassical approach, the non‐validity of the translational energy conservation hypothesis leads to a significant overestimation of the linebroadening for both systems. This overestimation is, however, substantially reduced for the ensemble of C 2 H 2 –He and CO 2 –He linewidths when a non‐perturbative completely classical method is employed. Used with caution, this latter approach therefore seems thus to be more appropriate for linewidth computations in the case of molecular systems of the type ‘heavy radiator + light perturber’. Copyright © 2005 John Wiley & Sons, Ltd.