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Ab initio investigation of the line-shape parameters for atmosphere-relevant molecular systems

Abstract : We demonstrate the results of the first ab initio investigation of the line-shape parameters for two molecular systems important for atmospheric studies CO-N2 and O2-N2. We provide the pressure broadening and shift coefficients with their speed dependencies for purely rotational lines, calculated from highly accurate potential energy surfaces with the close-coupling scheme. This is the first, fully quantum approach to the problem of determination of the spectral line shapes for the systems important for terrestrial atmospheric measurements.
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https://hal.archives-ouvertes.fr/hal-02931937
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Submitted on : Thursday, November 12, 2020 - 12:20:31 PM
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H Jóźwiak, Franck Thibault, Hubert Cybulski, N. Stolarczyk, M. Gancewski, et al.. Ab initio investigation of the line-shape parameters for atmosphere-relevant molecular systems. 31st International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2019, Jul 2019, Deauville, France. pp.132033, ⟨10.1088/1742-6596/1412/13/132033⟩. ⟨hal-02931937⟩

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