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The Journal of Chemical Physics
Article . 2007 . Peer-reviewed
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A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry

Authors: Ghasemi, S. Alireza; Neelov, Alexey; Goedecker, Stefan;

A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry

Abstract

We present a fast and accurate method to calculate the electrostatic energy and forces of interacting particles with the boundary conditions appropriate to surfaces, i.e., periodic in the two directions parallel to the surface and free in the perpendicular direction. In the spirit of the Ewald method, the problem is divided into a short range and a long range part. The charge density responsible for the long range part is represented by plane waves in the periodic directions and by finite elements in the nonperiodic direction. Our method has computational complexity of O(Nglog(Ng)) with a very small prefactor, where Ng is the number of grid points.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
13
Average
Top 10%
Average
bronze