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Theoretical study of CH3Cl-N2 line shapes in the ν1 band. Line mixing effects in QR doublets and QQk sub-branches

Ma, Qiancheng; Boulet, Christian

Line coupling and line mixing effects of CH3Cl lines in the v1 band perturbed by N2 have been investigated. We have taken into account the non-diagonality of the exp(-S2) operator within specified line spaces as well as the k-degeneracy of the transitions (due to the double degeneracy of the j,k levels with k does not equal to 0). These transitions should be considered as doublets coupled by the line mixing process. A new problem appears in the calculation when the atom-atom potential model is introduced. In order to overcome this difficulty, a pragmatic approach is proposed. Comparisons of theoretically calculated matrix elements of W with measurements of QR(j,k) doublets as well as some QQk sub-branches, which are strongly affected by line mixing, have been made. The results show that the formalism improved in this way leads to rather accurate predictions.

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Title
Journal of Quantitative Spectroscopy and Radiative Transfer
DOI
https://doi.org/10.1016/j.jqsrt.2021.107844

More About This Work

Academic Units
Applied Physics and Applied Mathematics
Published Here
August 6, 2021