Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems (original) (raw)
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Letter| June 15 1993
National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709
Search for other works by this author on:
National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709
Search for other works by this author on:
National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709
Search for other works by this author on:
J. Chem. Phys. 98, 10089–10092 (1993)
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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© 1993 American Institute of Physics.
1993
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