Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: High-order image approximations for reaction fields
Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: High-order image approximations for reaction fields
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DOI：
10.1016/j.jcp.2007.09.001
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发表时间：
2007-12-10
影响因子：
4.1
通讯作者：
Cai, Wei
中科院分区：
文献类型：
--
作者：
Deng, Shaozhong;Cai, Wei
作为我们以前的论文的续篇，扩展了快速多极方法（FMM）的电荷内的电介质球（J。223（2007）846-864]，本文进一步将FMM扩展到浸入离子溶剂中的电介质球内部的电荷的静电计算，这是在生物应用中具有更多相关性的场景。关键的发现包括两个四阶多重离散图像近似的u = λ a的离子溶剂诱导的反应场，假设u = λ a < 1，其中）是离子溶剂的德拜屏蔽长度的倒数和a是介电球的半径。用3-4个点像电荷就可以在球内源电荷的反应场中达到10（-4）的相对精度。与镜像电荷一起，FMM可用于加速浸没在离子溶剂中的电介质球中的电荷的静电相互作用的计算。(C)2007年爱思唯尔公司All rights reserved.
As a sequel to our previous paper on extending the Fast Multipole Method (FMM) for charges inside a dielectric sphere (J. Comput. Phys. 223 (2007) 846-864], this paper further extends the FMM to the electrostatic calculation for charges inside a dielectric sphere immersed in an ionic solvent, a scenery with more relevance in biological applications. The key findings include two fourth-order multiple discrete image approximations in terms of u = lambda a to the reaction field induced by the ionic solvent, provided that u = lambda a < 1 where), is the inverse Debye screening length of the ionic solvent and a is the radius of the dielectric sphere. A 10(-4) relative accuracy in the reaction field of a source charge within the sphere can be achieved with only 3-4 point image charges. Together with the image charges, the FMM can be used to speed up the calculation of electrostatic interactions of charges in a dielectric sphere immersed in an ionic solvent. (C) 2007 Elsevier Inc. All rights reserved.