Ewald summation for ion-dipole mixture under dielectric confinement
Soft Condensed Matter
2019-10-10 v2
Abstract
A modified 3D-Ewald summation is presented for accurately simulating the ion-dipole mixture under dielectric confinement. The method is based on the combination of image charges and image dipoles with the conventional Ewald summation and has a scaling O(^3/2). The accuracy and efficiency of our algorithm are examined through numerical examples.
Cite
@article{arxiv.1908.07127,
title = {Ewald summation for ion-dipole mixture under dielectric confinement},
author = {Jiaxing Yuan},
journal= {arXiv preprint arXiv:1908.07127},
year = {2019}
}
Comments
The math derivation seems to be correct but further numerical tests don't support this. I am checking whether there is a bug in the code