Finite size scaling with modified boundary conditions

Abstract

An efficient scheme is introduced for a fast and smooth convergence to the thermodynamic limit with finite size cluster calculations. This is obtained by modifying the energy levels of the non interacting Hamiltonian in a way consistent with the corresponding one particle density of states in the thermodynamic limit. After this modification exact free electron energies are obtained with finite size calculations and for particular fillings that satisfy the so called "closed shell condition". In this case the "sign problem" is particularly mild in the auxiliary field quantum Monte Carlo technique and therefore, with this technique, it is possible to obtain converged energies for the Hubbard model even for $U>0$. We provide a strong numerical evidence that phase separation occurs in the low doping region and moderate $U\lesssim 4t$ regime of this model.