Method of averaged energy differences of coupled states and other approaches for calculation line broadening parameters of HD16O transitions

A. S. Dudaryonok, B. A. Voronin, N. N. Lavrentieva, A. A. Lugovskoy, V. I. Starikov

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    2 Citations (Scopus)

    Abstract

    Air-broadening coefficients of the water isotopologue HD16O up to J = 50 for P, Q and R branches calculated using different methods are presented. For partially labeled lines ("good" quantum numbers: J, symmetry and level number) we combined three methods for calculating half-widths: J-dependence and JJ'-dependence up to J=15 and averaging coefficients calculated using a previously developed semi-empirical method for high J (15-50). For lines with full assignments based on normal modes v 1, v2, v3, Ka, Kc we used: (a) an analytical model (approximation) which depends on use of rotational quantum numbers J and Ka for both the upper and lower levels; and (b) a method based on the estimate of the averaged energy differences between coupled states. The comparison of calculated data with broadening coefficients from HITRAN-2008 and available experimental data is presented. The resulting broadening coefficients can be used to calculate spectra of water vapor with hundreds millions of weak lines with reasonable accuracy. The line list VTT [Voronin, Tennyson, Tolchenov, MNRAS, 2010], supporting programs, files for calculations of spectra HD16O and estimation of broadening coefficient are made freely available also in electronic form via http://www.exomol.com.

    Original languageEnglish
    Title of host publicationEighteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics
    Volume8696
    DOIs
    Publication statusPublished - 1 Dec 2012
    Event18th International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics - Irkutsk, Russian Federation
    Duration: 2 Jul 20126 Jul 2012

    Other

    Other18th International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics
    CountryRussian Federation
    CityIrkutsk
    Period2.7.126.7.12

    Keywords

    • Half-width
    • HDO spectrum
    • VTT line-list

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics
    • Computer Science Applications
    • Applied Mathematics
    • Electrical and Electronic Engineering

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