The fast Fourier Poisson method for calculating Ewald sums
- 15 August 1994
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 101 (4) , 3298-3300
- https://doi.org/10.1063/1.467576
Abstract
The conventional Ewald expression for the electrostatic energy and forces is recast in a form that can be evaluated to high accuracy in order N log(N) steps using fast Fourier transforms. The fast Fourier Poisson method does not rely on interpolation approaches or Taylor/multipole expansions, and can be easily integrated with conventional molecular dynamics algorithms.Keywords
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