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

doi:10.1117/12.2008790

27 November 2012 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

Author Affiliations +

Proceedings Volume 8696, Eighteenth International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics; 869604 (2012) https://doi.org/10.1117/12.2008790
Event: Eighteenth International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 2012, Irkutsk, Russian Federation

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 v₁, v₂, v₃, K_a, Kc we used: (a) an analytical model (approximation) which depends on use of rotational quantum numbers J and K_a 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.

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A. S. Dudaryonok, B. A. Voronin, N. N. Lavrentieva, A. A. Lugovskoy, and V. I. Starikov "Method of averaged energy differences of coupled states and other approaches for calculation line broadening parameters of HD¹⁶O transitions", Proc. SPIE 8696, Eighteenth International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 869604 (27 November 2012); https://doi.org/10.1117/12.2008790

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KEYWORDS

Molecules

Earth's atmosphere

Atmospheric optics

Spectroscopy

Atmospheric modeling

Planets

Solar radiation

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