Ewald method for polytropic potentials in arbitrary dimensionality
O.N. Osychenko, G.E. Astrakharchik, J. Boronat
2012
Molecular Physics
The Ewald summation technique is generalised to power-law 1/|r|^k potentials in three-, two- and one-dimensional geometries with explicit formulae for all the components of the sums. The cases of short-range, long-range and "marginal" interactions are treated separately. The jellium model, as a particular case of a charge-neutral system, is discussed and the explicit forms of the Ewald sums for such system are presented. A generalised form of the Ewald sums for a noncubic (nonsquare) simulation
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... cell for three- (two-) dimensional geometry is obtained and its possible field of application is discussed. A procedure for the optimisation of the involved parameters in actual simulations is developed and an example of its application is presented.
doi:10.1080/00268976.2011.640291
fatcat:d6oqx6mvcbcthh37muze5x6p6q