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Journal of Chemical Physics / Volume 113 / Issue 23 / ARTICLES / Theoretical Methods and Algorithms

J. Chem. Phys. 113, 10459 (2000); doi:10.1063/1.1326477 (5 pages)

Ewald sums for Yukawa potentials

Gwenaël Salin and Jean-Michel Caillol

MAPMO - CNRS (UMR 6628), Département de Mathématiques, Université d’Orléans, B.P. 6759, 45067 Orléans Cedex 2, France

(Received 9 May 2000; accepted 25 September 2000)

The numerical simulation of systems involving Yukawa interaction y(r) = exp(−αr)/r (e.g., colloids, dusty plasmas,…) needs some caution in the case where the potential cannot be neglected on the boundaries of the cubic simulation cell [i.e., when y(L/2)−L side of the cube — is larger than the absolute uncertainties wanted for the thermal average of the energy]. In that case the usual minimum image convention fails and it is necessary to introduce Ewald sums similar to those used for Coulomb systems. In this study we derive the expression of the Ewald sums associated to Yukawa interactions and discuss the numerical errors induced by their truncation. © 2000 American Institute of Physics.

© 2000 American Institute of Physics

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KEYWORDS and PACS

Keywords

colloids, dusty plasmas, plasma simulation

PACS

ARTICLE DATA

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http://link.aip.org/link/doi/10.1063/1.1326477

PUBLICATION DATA

ISSN:

0021-9606 (print)  
1089-7690 (online)

Publisher:

$abstract.society.value is a Member of CrossRef American Institute of Physics

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