介电限域下离子-偶极混合物体系的 Ewald 求和
软凝聚态物质
2019-10-10 v2
摘要
提出一种改进的 3D-Ewald 求和方法，用于精确模拟介电限域下的离子-偶极混合物。该方法基于镜像电荷与镜像偶极子同常规 Ewald 求和的结合，具有 O(N^{3/2}) 的复杂度。通过数值算例检验了我们算法的精度与效率。
引用
@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}
}
备注
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