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Ewald method for polytropic potentials in arbitrary dimensionality | | O. N. Osychenko
; G. E. Astrakharchik
; J. Boronat
; | | Date: |
27 Jul 2011 | | Abstract: | 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 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. | | Source: | arXiv, 1107.5435 | | Services: | Forum | Review | PDF | Favorites | |
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