Collision-induced absorption in Ar-Xe: a comparative study of empirical and ab initio interaction potentials and electric dipole moments

Abstract

Empirical Barker-Fisher-Watts and modified Tang-Toennies potential energy curves are obtained through fit to experimental vibrational transition energies for argon–argon, xenon–xenon, and argon–xenon pairs. The potentials are tested against experimental thermophysical and transport properties, and agreement is observed. Also, an interaction-induced electric dipole moment curve for the argon–xenon pair is determined through a fit to experimental spectral moments for collision-induced absorption. The argon–xenon potentials and dipole are tested in a complete quantum dynamical calculation of the collision-induced absorption profiles, which can be compared with a laboratory measurement. This provides further analysis of the accuracy of the empirical argon–xenon data, as calculations of absorption profiles are highly sensitive to the input of molecular data.