Simulating nanoscale dielectric response

Details Simulating nanoscale dielectric response Simulating nanoscale dielectric response

2005-11-25

arxiv.org/abs/cond-mat/0511623v1

Physics

Condensed Matter

Soft Condensed Matter

4 pages, 2 figures. Revtex4

Scientific paper

10.1103/PhysRevLett.96.230603

We introduce a constrained energy functional to describe dielectric response. We demonstrate that the local functional is a generalization of the long ranged Marcus energy. Our re-formulation is used to implement a cluster Monte Carlo algorithm for the simulation of dielectric media. The algorithm avoids solving the Poisson equation and remains efficient in the presence of spatial heterogeneity, nonlinearity and scale dependent dielectric properties.

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