Interatomic potentials for krypton and xenon

Abstract

Accurate potentials for ground state krypton‐krypton and xenon‐xenon interactions are derived using a wide range of experimental evidence including second virial coefficients, gas transport properties, solid state data, known long‐range interactions, spectroscopic information on dimers, and new measurements of differential scattering cross sections. In calculating solid‐state properties account is taken of long‐range many‐body interactions. The use of the potentials permits a critical intercomparison of various kinds of experimental data. A ``corresponding states'' comparison of the shapes of the potentials for different inert gas pairs is given. It is concluded that contributions of overlap‐dependent many‐body interactions to condensed‐phase properties of argon, krypton, and xenon are very small.