Parameter tuning for the NFFT based fast Ewald summation

The computation of the Coulomb potentials and forces in charged particle systems under 3d-periodic boundary conditionsis possible in an efficient way by utilizing the Ewald summation formulas and applying the fast Fourier transform (FFT). In this paper we consider the particle-particle NFFT (P$^2$NF...

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Hlavní autor: Franziska Nestler
Médium: Článek
Jazyk:English
Vydáno: Frontiers Media S.A. 2016-07-01
Edice:Frontiers in Physics
Témata:
On-line přístup:http://journal.frontiersin.org/Journal/10.3389/fphy.2016.00028/full