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most citedFast calculation of the electrostatic potential in ionic crystals by direct summation method

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cond-mat.str-el2007

Fast calculation of the electrostatic potential in ionic crystals by direct summation metho

Alain Gelle, Marie-Bernadette Lepetit

An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes adva…