1. An integral equation approach to calculate electrostatic interactions in many-body dielectric systems.
- Author
-
Lindgren, Eric B., Stace, Anthony J., Polack, Etienne, Maday, Yvon, Stamm, Benjamin, and Besley, Elena
- Subjects
- *
INTEGRAL equations , *CHARGE-charge interactions , *DIELECTRIC devices , *GALERKIN methods , *APPROXIMATION theory - Abstract
In this article, a numerical method to compute the electrostatic interaction energy and forces between many dielectric particles is presented. The computational method is based on a Galerkin approximation of an integral equation formulation, which is sufficiently general, as it is able to treat systems embedded in a homogeneous dielectric medium containing an arbitrary number of spherical particles of arbitrary size, charge, dielectric constant and position in the three-dimensional space. The algorithmic complexity is linear scaling with respect to the number of particles for the computation of the energy which has been achieved through the use of a modified fast multipole method. The method scales with the third power of the degree of spherical harmonics used in the underlying expansions, for general three-dimensional particle configurations. Several simple numerical examples illustrate the capabilities of the model, and the influence of mutual polarization between particles in an electrostatic interaction is discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF