Semi-empirical calculation of air-broadened half-widths and air pressure-induced frequency shifts of water-vapor absorption lines

This paper describes a semi-empirical calculation of the air-broadened half-widths and the air pressure-induced frequency shifts for the H216O isotopologue. This semi-empirical calculation is based on fits of several recent high-quality measurements and theoretical calculations to the first-order terms in the expansion of the complex Robert-Bonamy (CRB) equations, which yields a second- and first-order polynomial function of the differences in the upper- and lower-state vibrational quantum numbers for the half-width and line shift, respectively. The aim of this work was to obtain a complete set of air-broadened half-widths and air pressure-induced frequency shifts for transitions of H216O present in the HITRAN database from microwave to the visible in order to supplement the observed and calculated values. For around 700 sets of rotational quantum numbers (J′Ka′Kc′←J″Ka″Kc″), semi-empirical coefficients describing the vibrational dependence of the air-broadened half-widths and the air pressure-induced frequency shifts have been obtained directly from the fit of experimental and/or theoretical data. The accuracy of the parameters deduced from this calculation is estimated to be between 5% and 10% for the air-broadened half-widths and between 0.001 and 0.01cm-1atm-1 for the air pressure-induced frequency shifts. For sets of rotational quantum numbers for which either none or insufficient experimental/theoretical data were available to deduce a vibrational dependence, further approximations have been used to obtain a complete set of semi-empirical coefficients.