Fast Ewald summation under 2d- and 1d-periodic boundary conditions based on NFFTs
نویسندگان
چکیده
Ewald summation has established as basic element of fast algorithms evaluating the Coulomb interaction energy of charged particle systems in three dimensions subject to periodic boundary conditions. In this context particle mesh routines, as the P3M method, and the P2NFFT, which is based on nonequispaced fast Fourier transforms (NFFT), should be mentioned. These methods treat the problem efficiently in case that periodic boundary conditions in all three dimensions are assumed. In this paper we present a new approach for the efficient calculation of the Coulomb interaction energy subject to mixed boundary conditions based on NFFTs.
منابع مشابه
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