Empirical potential for the He+CO2 interaction: Multiproperty fitting in the infinite-order sudden approximation

Abstract

An empirical intermolecular potential for the interaction of He with CO2 is obtained via data reduction of phenomenological cross sections. The infinite order sudden approximation is used to calculate the total differential, total integral, and spectral line broadening cross sections, and diffusion,viscosity,thermal conductivity,thermal diffusion factors, and second virial coefficients. Second order Chapman–Cowling corrections were used to determine some of the transport coefficients, and quantum corrections to the classical virial coefficients were included. The empirical potential obtained simultaneously fits all nine different types of experimental data to within their experimental error and the computational accuracy.