Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
Open Access
- 15 June 1993
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (12) , 10089-10092
- https://doi.org/10.1063/1.464397
Abstract
An N⋅log(N) method for evaluating electrostatic energies and forces of large periodic systems is presented. The method is based on interpolation of the reciprocal space Ewald sums and evaluation of the resulting convolutions using fast Fourier transforms. Timings and accuracies are presented for three large crystalline ionic systems.Keywords
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