Finite-Size Error in Many-Body Simulations with Long-Range Interactions
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- 18 August 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 97 (7), 076404
- https://doi.org/10.1103/physrevlett.97.076404
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.Keywords
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