The fitting of three-body potential energy of solid argon

Abstract

Abstract Based on atomic crystal configuration and the CCSD(T) calculation results, we obtain the fitting result of three-body potential energy of solid argon by fitting ab initio calculation results of this work, and make a comparison with the previous calculation results. Finally, we study and analyze three-body potential fitting results. It is concluded that the fitting curve is a simple and accurate tool to understand the high-pressure behaviors of solid argon, and the results are in very good agreement with ab initio calculation results, the recent experiment results at the present experimental pressure range.