Literature DB >> 24784241

Communication: on the origin of the surface term in the Ewald formula.

V Ballenegger1.   

Abstract

A transparent derivation of the Ewald formula for the electrostatic energy of a periodic three-dimensional system of point charges is presented. The problem of the conditional convergence of the lattice sum is dealt with by separating off, in a physically natural and mathematically simple way, long-range non-absolutely integrable contributions in the series. The general expression, for any summation order, of the surface (or dipole) term emerges very directly from those long-range contributions.

Year:  2014        PMID: 24784241     DOI: 10.1063/1.4872019

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Dielectric response with short-ranged electrostatics.

Authors:  Stephen J Cox
Journal:  Proc Natl Acad Sci U S A       Date:  2020-08-03       Impact factor: 11.205

2.  Analytical Hessians for Ewald and particle mesh Ewald electrostatics.

Authors:  Andrew C Simmonett; Bernard R Brooks
Journal:  J Chem Phys       Date:  2021-03-14       Impact factor: 3.488

3.  Partially ordered state of ice XV.

Authors:  K Komatsu; F Noritake; S Machida; A Sano-Furukawa; T Hattori; R Yamane; H Kagi
Journal:  Sci Rep       Date:  2016-07-04       Impact factor: 4.379

  3 in total

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