| Literature DB >> 24527936 |
Kipton Barros1, Daniel Sinkovits1, Erik Luijten1.
Abstract
Electrostatic interactions between dielectric objects are complex and of a many-body nature, owing to induced surface bound charge. We present a collection of techniques to simulate dynamical dielectric objects. We calculate the surface bound charge from a matrix equation using the Generalized Minimal Residue method (GMRES). Empirically, we find that GMRES converges very quickly. Indeed, our detailed analysis suggests that the relevant matrix has a very compact spectrum for all non-degenerate dielectric geometries. Each GMRES iteration can be evaluated using a fast Ewald solver with cost that scales linearly or near-linearly in the number of surface charge elements. We analyze several previously proposed methods for calculating the bound charge, and show that our approach compares favorably.Mesh:
Year: 2014 PMID: 24527936 DOI: 10.1063/1.4863451
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488