Finite size errors in quantum many-body simulations of extended systems

摘要: Further developments are introduced in the theory of finite-size errors quantum many-body simulations extended systems using periodic boundary conditions. We show that our recently model Coulomb interaction @A. J. Williamson et al., Phys. Rev. B 55, R4851 ~1997!# can be applied consistently to all interactions system. The greatly reduces simulations. illustrate practical application techniques with Hartree-Fock and variational diffusion Monte Carlo calculations for ground- excited-state calculations. demonstrate effects electron promotion addition/subtraction excitation energy very similar. @S0163-1829~99!07303-8#