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arXiv · 1908.07127

Ewald summation for ion-dipole mixture under dielectric confinement

Jiaxing Yuan
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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.

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Jiaxing Yuan. 2019-10-09. Ewald summation for ion-dipole mixture under dielectric confinement. https://arxiv.org/abs/1908.07127

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