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

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, 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.

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