具有部分周期边界条件系统的Yukawa势II：准二维系统的Lekner和
Yukawa potentials in systems with partial periodic boundary conditions II : Lekner sums for quasi-two dimensional systems
摘要：
当德拜屏蔽长度较大时，汤川势可能是长程的。在计算机模拟中，这种长范围的电位必须考虑到方便的算法，以避免在相空间的采样中的系统偏差。最近，我们给出了具有Yukawa相互作用势的准二维系统的Ewald和[M。Mazars，{ \it J. Chem. Phys.}，{ \bf 126}，056101（2007）和M. Mazars，{ \it Mol. Phys.}，Paper I].有时，Lekner和被用作库仑系统的Ewald和的替代。本文导出了具有Yukawa相互作用势的准二维系统的Lekner和，并给出了一些数值检验。本文的主要结果是概述了Lekner和不能被认为是一个替代的Ewald和汤川势。作为本文工作的结论：Lekner和不应该用于具有Yukawa相互作用势的准二维系统。
英文摘要：
Yukawa potentials may be long ranged when the Debye screening length is large. In computer simulations, such long ranged potentials have to be taken into account with convenient algorithms to avoid systematic bias in the sampling of the phase space. Recently, we have provided Ewald sums for quasi-two dimensional systems with Yukawa interaction potentials [M. Mazars, {\it J. Chem. Phys.}, {\bf 126}, 056101 (2007) and M. Mazars, {\it Mol. Phys.}, Paper I]. Sometimes, Lekner sums are used as an alternative to Ewald sums for Coulomb systems. In the present work, we derive the Lekner sums for quasi-two dimensional systems with Yukawa interaction potentials and we give some numerical tests for pratical implementations. The main result of this paper is to outline that Lekner sums cannot be considered as an alternative to Ewald sums for Yukawa potentials. As a conclusion to this work : Lekner sums should not be used for quasi-two dimensional systems with Yukawa interaction potentials.
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