Elimination of Coulomb finite-size effects in quantum many-body simulations

Abstract

A model interaction is introduced for quantum many-body simulations of Coulomb systems using periodic boundary conditions. The interaction gives much smaller finite size effects than the standard Ewald interaction and is also much faster to compute. Variational quantum Monte Carlo simulations of diamond-structure silicon with up to 1000 electrons demonstrate the effectiveness of our method. © 1997 The American Physical Society.