Generalized approach to Ewald sums.
Generalized approach to Ewald sums.
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Ewald 求和的通用方法。
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
S. Ranganathan
中科院分区：
文献类型：
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作者：
R. E. Johnson;S. Ranganathan
本文导出了点电荷与任意长程中心势相互作用系统的势能和力的埃瓦尔德求和公式。该系统是中性的一个统一的背景相反的电荷与相同的电位相互作用。这些公式可方便地用于模型物理系统的计算机数值模拟。特别是，表达的势能和力已获得在二维和三维的库仑和其他幂律电位，汤川系统，和电子双层。我们讨论了各种系统的数值结果及其精度，并根据我们的分析，建议用于Ewald求和中出现的参数的值。
We derive Ewald sum formulas for potential energy and force for a system of point charges interacting with an arbitrary, long-range central potential. The system is made neutral by a uniform background of opposite charge interacting with the same potential. These formulas can be readily used in computer numerical simulations of model physical systems. In particular, expressions for the potential energy and the force have been obtained in both two and three dimensions for Coulomb and other power-law potentials, Yukawa systems, and for an electronic bilayer. We discuss numerical results and their accuracy for various systems and, based on our analysis, suggest values to be used for the parameters that appear in the Ewald sums.