@Article{CiCP-2-5,
author = {},
title = {Discrete Image Approximations of Ionic Solvent Induced Reaction Field to Charges},
journal = {Communications in Computational Physics},
year = {2007},
volume = {2},
number = {5},
pages = {1007--1026},
abstract = {<p style="text-align: justify;">Two methods of discrete images are proposed to approximate the reaction field from ionic solvent for a point charge inside a dielectric spherical cavity. Fast and accurate calculation of such a reaction field is needed in hybrid explicit/implicit solvation models of biomolecules. A first- and a second-order image approximation methods, in the order of u=λa (λ – the inverse Debye screening length of the ionic solvent, a – the radius of the spherical cavity), are derived. Each method involves a point image at the conventional Kelvin image point and a line image along the ray from the Kelvin image point to infinity. Based on these results, discrete point images are obtained by using Jacobi-Gauss quadratures. Numerical results demonstrate that two to three point images are sufficient to achieve a 10−3 accuracy in the reaction field with the second-order image approximation.</p>},
issn = {1991-7120},
doi = {https://doi.org/2007-CiCP-7936},
url = {https://global-sci.com/article/81348/discrete-image-approximations-of-ionic-solvent-induced-reaction-field-to-charges}
}