Spectral line shape parameters for HF in a bath of Ar are accurately predicted by a potential inferred from spectra of the van der Waals dimer

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Abstract
An interaction potential for Ar–HF, which was recently determined from extensive spectroscopic data for the van der Waals dimer and which includes dependence on the HF vibrational state, has been used with accurate close‐coupling molecular scattering calculations to predict line shape parameters for the pure rotational and the fundamental and first overtone vibrational bands of HF in a bath of Ar. Agreement with experiment is good; in fact, considering inconsistencies among the experimental values, the theoretical values may be the more reliable. This confirms the accuracy of the Ar–HF interaction potential, including the dependence on the HF vibrational level which is sensitively probed by the line shift cross sections.