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cond-mat.soft2005
Simulating nanoscale dielectric response
A. C. Maggs, R. Everaers
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-…
cond-mat.soft2005
Monte Carlo Simulation of a Model of Water
A. C. Maggs
We simulate TIP3P water using a constrained Monte Carlo algorithm to generate electrostatic interactions eliminating the need to sum over long ranged Coulomb interactions. We study…