Monte Carlo calculations for solid and liquid argon

Abstract

Monte Carlo methods are used to evaluate pressure, energy, and specific heat for solid and liquid argon for volumes and temperatures at or near melting. The potential energy is assumed to be the sum of pair-wise-additive potentials recently determined by Barker and co-workers plus the Axilrod-Teller three-body interaction. Quantum corrections are included. The agreement with presently available high-pressure data is excellent. © 1973 The American Physical Society.