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

摘要

An interaction potential for Arndash;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 closehyphen;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 Arndash;HF interaction potential, including the dependence on the HF vibrational level which is sensitively probed by the line shift cross sections.