The Journal of Chemical Physics vol. 101 p. 3298 DOI: 10.1063/1.467576 Published: 1994-08-15
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.