Structural and thermodynamic description of supercritical argon with ab initio potentials

Abstract

Results are presented of the structural and thermodynamic properties for supercritical Ar, using ab initio calculations for their potential, which has been built with fourth-order Mollet-Plesset perturbation theory. These results are also compared to those obtained with an empirical potential, as well as to the recent experimental data of Pfeiderer et al.