Finite-size error in many-body simulations with long-range interactions

被引:184
作者
Chiesa, Simone
Ceperley, David M.
Martin, Richard M.
Holzmann, Markus
机构
[1] Univ Illinois, Dept Phys, Urbana, IL 61801 USA
[2] Univ Paris 06, CNRS, UMR 7600, LPTMC, Paris, France
关键词
D O I
10.1103/PhysRevLett.97.076404
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
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页数:4
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