Authors: Serdar Acir
A re-formulated version of Ewald Summation method is presented in this paper by replacing each point charge with a triangular shape charge distribution instead of the original Gaussian shape charge distribution. With triangular shape charge distribution, we aim to be able to accelerate the computation of the reciprocal sum part of the Ewald Summation for crystal simulations with periodic boundary conditions.
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[v1] 2023-09-28 08:44:11
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