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The Finite Size Error in Many-body Simulations with long-Ranged Interactions

2006/05/24 by Simone Chiesa, David M. Ceperley, Richard M. Martin +1 · 1 citation
Physics and Astronomy · #cond-mat.other #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevlett.97.076404

4 pages, 4 figures, submitted to PRL; corrected typos

arxiv created 2006/05/24 · arxiv updated 2009/12/01

Abstract

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 wave lengths. The correction comes from contributions mainly determined by the organized collective 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.

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