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Showing 1 to 1 of 1 for “"Ewald Summations"”.

  1. Molecular dynamics investigation of the long wavelength dielectric response of classical dipolar liquids using Bloch function methods

    … wavevector is now q. A demonstration of how the Ewald summation is modified for energy and force calculations necessary for the simulation of these systems is given, explicitly for that of charges and dipoles, and a scheme to derive this for higher multipoles is given. This framework is then …

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