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Article Dans Une Revue Journal of Chemical Physics Année : 2014

Communication: On the origin of the surface term in the Ewald formula

Résumé

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

Dates et versions

hal-01275199 , version 1 (17-02-2016)

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Vincent Ballenegger. Communication: On the origin of the surface term in the Ewald formula. Journal of Chemical Physics, 2014, 140 (16), pp. 161102. ⟨10.1063/1.4872019⟩. ⟨hal-01275199⟩
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