Electrostatics in periodic slab geometries. II

@article{Joannis2002ElectrostaticsIP,
  title={Electrostatics in periodic slab geometries. II},
  author={J. D. Joannis and A. Arnold and C. Holm},
  journal={Journal of Chemical Physics},
  year={2002},
  volume={117},
  pages={2496-2502}
}
  • 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
    View PDF on arXiv
    91 Citations
    Highly Influential Citations
    1
    Background Citations
    3
    Methods Citations
    3
    91 Citations
    Citation Type

    Citation Type

    MMM2D: A fast and accurate summation method for electrostatic interactions in 2D slab geometries
    • 71
    • PDF
    Electrostatic layer correction with image charges: a linear scaling method to treat slab 2D+h systems with dielectric interfaces.
    • 34
    A new Ewald-type formula for thin film electrostatics
    Fast and spectrally accurate Ewald summation for 2-periodic electrostatic systems.
    • 38
    • PDF
    Optimized Ewald sum for electrostatics in molecular self-assembly systems at interfaces
    • 5
    The effect of electrostatic boundaries in molecular simulations: symmetry matters.
    • 12
    Efficient Algorithms for Electrostatic Interactions Including
    Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts
    • 30
    • PDF
    Optical parameter values of the Ewald method with electrostatic layer correction for Coulomb interactions in slab geometry
    • 1
    Electrostatic potentials in systems periodic in one, two, and three dimensions.
    • E. R. Smith
    • Physics, Medicine
    • The Journal of chemical physics
    • 2008
    • 23
    • PDF

    References

    SHOWING 1-10 OF 26 REFERENCES
    A comparison of Ewald summation techniques for planar surfaces
    • 53
    A novel method for calculating electrostatic interactions in 2D periodic slab geometries
    • 43
    Ewald summation for systems with slab geometry
    • 758
    Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants
    • 984
    How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines
    • 522
    • PDF
    Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions
    • 156
    Accuracy and efficiency of the particle mesh Ewald method
    • 231
    Boundary condition effects in simulations of water confined between planar walls
    • 80
    A new reciprocal space based treatment of long range interactions on surfaces
    • 58
    Calculating the pressure in simulations using periodic boundary conditions
    • 28