Structural and thermodynamic description of supercritical argon with ab initio potentials

The self-consistent integral equation method is applied to calculate the st ructure and the thermodynamic properties of supercritical argon considered in a recent neutron-scattering experiment by Pfleiderer [J. Chem. Phys. 111 , 2641 (1999)]. Two kinds of potentials, different in nature, are used for the calculations. One is an empirical standard potential and the other is f ounded upon ab initio quantum chemical calculations. The small discrepancie s between the two approaches are discussed, and the results are compared to the recent measurements for structure and experimental thermodynamic prope rties as well. (C) 2000 American Institute of Physics. [S0021-9606(00)51637 -7].