Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
Year: 1993
Type: article
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.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.464397
Authors: Tom Darden, Darrin York, Lee Pedersen
Institution: National Institute of Environmental Health Sciences
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2067174909