Ab initio investigation of the line-shape parameters for atmosphere-relevant molecular systems
Résumé
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.
Domaines
Physique [physics]
Origine : Fichiers produits par l'(les) auteur(s)
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