The role of the Jastrow factor towards the correct estimate of the finite-mass correction

Abstract

Compact wave functions with explicit correlation are capable of recovering more than seventy percent of the correlation energy of few-electron atoms while some constraints can be imposed to satisfy the cusp conditions. We address the question if it is also possible to describe correctly the first order finite mass correction. To this end, we optimize wave functions free of spin contamination with two-body Jastrow factors. As a playground, we use the first global excited state 1s${}^{2}2$p of Li-like atoms because it is the simplest case of open shell and non-zero angular momentum.