Finite-size error in many-body simulations with long-range interactions.
We discuss the origin of the finite-size error of the energy in many-body simulation of systems of charged particles and we propose a correction based on the random-phase approximation at long wavelengths. The correction is determined mainly by the collective charge oscillations of the interacting system. Finite-size corrections, both on kinetic and potential energy, can be calculated within a single simulation. Results are presented for the electron gas and silicon.
Chiesa
Simone
S
Department of Physics, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, USA. chiesa@uiuc.edu
Ceperley
David M
DM
Martin
Richard M
RM
Holzmann
Markus
M