Accurate electron density and one‐electron properties for the beryllium atom

Abstract

AbstractAn accurate analytical electron density for the beryllium atom is obtained by using a fast and systematic method recently developed and tested for the neon atom. Asymptotic conditions both at the nucleus and at large distances are obeyed. A point‐by‐point comparison between our density and the one obtained from an almost “exact” configuration interaction wave function shows that differences are less than 0.5% for r between 0 and 5 bohrs and less than 1 % up to 9 bohrs. The accuracy of the density is also assessed by comparing results of density moments and x‐ray scattering factors.