Pseudopotential for the electron-electron interaction

摘要: We propose a pseudopotential for the electron-electron Coulomb interaction to improve efficiency of many-body electronic structure calculations. The accurately replicates scattering properties interaction, and recovers analytical solution two electrons in parabolic trap. A case study homogeneous electron gas using diffusion Monte Carlo configuration methods highly accurate values ground state energy, smoother potential reduces computational cost by factor $\ensuremath{\sim}30$. Finally, we demonstrate use isolated lithium beryllium atoms.