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The Ewald sums for singly, doubly and triply periodic electrostatic systems
KTH, School of Engineering Sciences (SCI), Mathematics (Dept.), Numerical Analysis, NA.
2015 (English)In: Advances in Computational Mathematics, ISSN 1019-7168, E-ISSN 1572-9044, Vol. 42, 227-248 p.Article in journal (Refereed) Published
Abstract [en]

When evaluating the electrostatic potential, periodic boundary conditions in one, two or three of the spatial dimensions are often required for different applications. The triply periodic Ewald summation formula is classical, and Ewald summation formulas for the other two cases have also been derived. In this paper, derivations of the Ewald sums in the doubly and singly periodic cases are presented in a uniform framework based on Fourier analysis, which also yields a natural starting point for FFT-based fast summation methods.

Place, publisher, year, edition, pages
Springer, 2015. Vol. 42, 227-248 p.
National Category
Mathematical Analysis
URN: urn:nbn:se:kth:diva-174625DOI: 10.1007/s10444-015-9422-3ISI: 000369010800010ScopusID: 2-s2.0-84955686018OAI: diva2:876437

QC 20160223

Available from: 2015-12-03 Created: 2015-10-07 Last updated: 2016-02-23Bibliographically approved

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Tornberg, Anna-Karin
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Numerical Analysis, NA
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