Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
1993Published
30.5KCitations
0References
journal articleType
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.
Journal: The Journal of Chemical Physics
Publisher: AIP Publishing
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