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Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden; Darrin M. York; Lee G. Pedersen · The Journal of Chemical Physics · 1993

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Author / responsible party
Tom Darden; Darrin M. York; Lee G. Pedersen
Publisher
The Journal of Chemical Physics
Year
1993
Language
English

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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.

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APA 7

Darden, T, York, D. M, & Pedersen, L. G. (1993). Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems. https://doi.org/10.1063/1.464397

MLA

Darden, Tom, et al. "Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems." 1993. https://doi.org/10.1063/1.464397.

Chicago

Darden, Tom, Darrin M. York, and Lee G. Pedersen. 1993. "Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems.". https://doi.org/10.1063/1.464397.

Harvard

Darden, T, York, D. M. and Pedersen, L. G. 1993, Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems, The Journal of Chemical Physics, available at: https://doi.org/10.1063/1.464397 [Accessed 7 Aug. 2026].

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Title
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
Author / contributors
Tom Darden; Darrin M. York; Lee G. Pedersen
Publisher
The Journal of Chemical Physics
Publication year
1993
Language
English

Subjects

Explore related resources through these subjects.

Ewald summation; Interpolation (computer graphics); Fast Fourier transform; Space (punctuation); Mathematics; Reciprocal lattice; Reciprocal; Physics; Mathematical analysis; Algorithm; Computer science; Classical mechanics
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