Semiclassical calculations of half-widths and line shifts for transitions in the 30012鈫?0001 and 30013鈫?0001 bands of CO₂, I: Collisions with N₂

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• 作者：Robert R. Gamache^a ; ^b ; ^{Robert_Gamache@uml.edu} ; Julien Lamouroux^a ; ^b ; Anne L. Laraia^a ; ^b ; Jean-Michel Hartmann^c ; Christian Boulet^d
• 关键词：Half-width ; Line shift ; Temperature dependence of the half-widths ; CO2&ndash ; N2
• 刊名：Journal of Quantitative Spectroscopy and Radiative Transfer
• 出版年：2012
• 期刊代码：70_00224073
• 类别：ch
• 出版时间：July, 2012
• 卷：113
• 期：11
• 页码：976-990
• 文件大小：613 K

摘要

Calculations of the half-width, its temperature dependence, and the line shift are made for the rotational states J=0-120 for two of the Fermi-tetrad bands (30012鈫?0001 and 30013鈫?0001) of CO₂ perturbed by N₂. The calculations employ the semi-classical complex Robert-Bonamy method with no ad hoc scaling, J-dependent or otherwise, and an intermolecular potential (IP) comprised of an electrostatic part, an atom-atom part, and an isotropic London dispersion part. The averaging over the impact parameter b and relative speed v are explicitly carried out. Many interesting features about CO₂ as the radiating molecule are elucidated. Effects of the trajectory model, the order of the expansion of the atom-atom component of the potential, and the inclusion of the imaginary terms are studied. It is shown that the results are very sensitive to the intermolecular potential. The final IP parameters give results that demonstrate excellent agreement with measurement for the three line shape parameters studied in this work.