Diffusion Monte Carlo simulation of condensed systems

摘要

Diffusion Monte Carlo calculations are reported for liquid4He using a Lennardhyphen;Jones potential and for solid molecular hydrogen using a reliable spherical pair potential and Axilrodndash;Teller three body interactions. Calculated thermodynamic and structural properties are in good agreement with experiment over a range of densities. Discrepancies between calculated and experimental values for hydrogen at the highest densities are attributed to the neglect of anisotropy in the calculations.