Calculated long-range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H

Abstract

The van der Waals (VDW) forces in rare-gas hydride systems are evaluated through the use of the multiconfiguration self-consistent field (MCSCF) method. For Kr–H and Xe–H, a pseudopotential variant of the MCSCF method is used. For each system, a potential energy curve is fit to the calculated potential energies, the VDW well depth and equilibrium position are determined, and the low energy total elastic cross sections are computed as a function of relative velocity. The calculated cross sections are in good to excellent agreement, for He–H, Ar–H and Xe–H, and in fair agreement, for Ne–H and Kr–H, with the most recent experimental measurements.