Electrostatics in periodic slab geometries. II

  title={Electrostatics in periodic slab geometries. II},
  author={J. D. Joannis and A. Arnold and C. Holm},
  journal={Journal of Chemical Physics},
  • J. D. Joannis, A. Arnold, C. Holm
  • Published 2002
  • Chemistry, Physics
  • Journal of Chemical Physics
  • We propose a new method to sum up electrostatic interactions in two-dimensional (2D) slab geometries. It consists of a combination of two recently proposed methods: the 3D Ewald variant of Yeh and Berkowitz [J. Chem. Phys. 111, 3155 (1999)] and the purely 2D method MMM2D by Arnold and Holm [Chem. Phys. Lett. 354, 324 (2002). The basic idea involves two steps: First we use a three-dimensional summation method whose summation order is changed to sum up the interactions in a slab-wise fashion… CONTINUE READING
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