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.

Topics
Molecular dynamics, Electrostatics, Fourier analysis
© 1994 American Institute of Physics.
1994
American Institute of Physics
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