Yukawa potentials in systems with partial periodic boundary conditions II : Lekner sums for quasi-two dimensional systems - Condensed Matter > Soft Condensed MatterReport as inadecuate




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Abstract: Yukawa potentials may be long ranged when the Debye screening length islarge. In computer simulations, such long ranged potentials have to be takeninto account with convenient algorithms to avoid systematic bias in thesampling of the phase space. Recently, we have provided Ewald sums forquasi-two dimensional systems with Yukawa interaction potentials M. Mazars,{\it J. Chem. Phys.}, {\bf 126}, 056101 (2007) and M. Mazars, {\it Mol. Phys.},Paper I. Sometimes, Lekner sums are used as an alternative to Ewald sums forCoulomb systems. In the present work, we derive the Lekner sums for quasi-twodimensional systems with Yukawa interaction potentials and we give somenumerical tests for pratical implementations. The main result of this paper isto outline that Lekner sums cannot be considered as an alternative to Ewaldsums for Yukawa potentials. As a conclusion to this work : Lekner sums shouldnot be used for quasi-two dimensional systems with Yukawa interactionpotentials.



Author: Martial Mazars (Laboratoire de Physique Théorique, Universite de Paris, France)

Source: https://arxiv.org/







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