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American Physical Society, Physical Review Letters, 7(97), 2006

DOI: 10.1103/physrevlett.97.076404

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Finite-Size Error in Many-Body Simulations with Long-Range Interactions

Journal article published in 2006 by Simone Chiesa, David M. Ceperley ORCID, Richard M. Martin, Markus Holzmann
This paper is available in a repository.
This paper is available in a repository.

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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 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.