Rare gas interactions using an improved statistical method

Abstract

New density functionals are employed to represent the correlation and exchange energies (per electron) in the calculation of rare gas interactions from the electron gas model. The correlation energy density functional is a rational function involving two parameters which were optimized to reproduce the correlation energy of He atom. Our results indicate that these parameters are ’’universal’’, i.e., they are accurate for all rare gas atoms. The exchange energy density functional is that recommended by Handler. Rare gas systems X₂ and XY are investigated, where X and Y are He, Ne, Ar, and Kr. The results are a significant improvement over those available from competing electron gas models.