Comparison of simulation methods for charged systems of slab geometry

Details Comparison of simulation methods for charged systems of slab geometry Comparison of simulation methods for charged systems of slab geometry

2002-01-17

arxiv.org/abs/cond-mat/0201304v1

Condensed Matter Physics, 2001, Vol. 4, No. 4(28), pp. 697-713

Physics

Condensed Matter

Statistical Mechanics

20 pages, 6 figures, 2 tables

Scientific paper

Using the specific model of a system of like charged ions confined between two planar like charged surfaces, we compare the predictions for the energy and density profile of four simulation methods available to treat the long range Coulomb interactions in systems periodic in two directions but bound in the third one. Monte Carlo simulations demonstrate unambiguously complete agreement between the results obtained with these methods where the potential between charges is solution of Poisson's equation in the simulation cell with adequate boundary conditions. The practical advantages of the different methods is assessed.

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