Accurate image-charge method by the use of the residue theorem for core-shell dielectric sphere

作者：Fu, Jing; Xu, Zhenli^*

来源：Journal of Chemical Physics, 2018, 148(5): 054105.

DOI：10.1063/1.5010722

• ALGORITHM

An accurate image-charge method (ICM) is developed for ionic interactions outside a core-shell structured dielectric sphere. Core-shell particles have wide applications for which the theoretical investigation requires efficient methods for the Green's function used to calculate pairwise interactions of ions. The ICM is based on an inverse Mellin transform from the coefficients of spherical harmonic series of the Green's function such that the polarization charge due to dielectric boundaries is represented by a series of image point charges and an image line charge. The residue theorem is used to accurately calculate the density of the line charge. Numerical results show that the ICM is promising in fast evaluation of the Green's function, and thus it is useful for theoretical investigations of core-shell particles. This routine can also be applicable for solving other problems with spherical dielectric interfaces such as multilayered media and Debye-Huckel equations. Published by AIP Publishing.

• 出版日期2018-2-7
• 单位上海交通大学