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.
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Research Article| August 15 1994
The fast Fourier Poisson method for calculating Ewald sums
Darrin York, Weitao Yang; The fast Fourier Poisson method for calculating Ewald sums. J. Chem. Phys. 15 August 1994; 101 (4): 3298–3300. https://doi.org/10.1063/1.467576
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