Accurate calculations of beyond-Voigt line-shape parameters from first principles for the He-perturbed HD rovibrational lines: A comprehensive dataset in the HITRAN DPL format
Kamil Stankiewicz, Nikodem Stolarczyk, Hubert Jóźwiak, Franck Thibault, Piotr Wcisło
Abstract
We report a comprehensive dataset of beyond-Voigt line-shape parameters (pressure broadening and shift coefficients, their speed-dependences, and the complex Dicke parameters) for all electric dipole and quadrupole transitions within the ground electronic state in He-perturbed HD that are present in the HITRAN database. The parameters are determined from generalized spectroscopic cross-sections which we obtain by solving ab initio quantum scattering problem using the close-coupling formulation and the state-of-the-art potential energy surface of the HD-He interaction. We parametrize the temperature dependence of the line-shape parameters with double-power-law representation (DPL), recommended for the HITRAN database. Comparison with the analogous results for the H2-He system reveals a strong isotopologue dependence.