Electrostatics for periodic films of atoms

Hendrik J. Monkhorst and William A. Schwalm
Phys. Rev. B 23, 1729 – Published 15 February 1981
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Abstract

The total electrostatic energy of a charge distribution, periodic in two dimensions, which may consist of both point charges and a continuous distribution, is analyzed in detail. From the long-range nature of the Coulombic force, singularities arise which must be treated with considerable care. The Fourier-transform method developed by Harris and Monkhorst is carried forward, and the way in which these singularities cancel is clearly demonstrated. A convenient procedure for computing total energies is given, and various applications to periodic arrays of point charges are presented.

  • Received 8 August 1980

DOI:https://doi.org/10.1103/PhysRevB.23.1729

©1981 American Physical Society

Authors & Affiliations

Hendrik J. Monkhorst* and William A. Schwalm

  • Department of Physics, University of Utah, Salt Lake City, Utah 84112

  • *Permanent address: Physics Department, University of Florida, Gainesville, Fla. 32611.

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Issue

Vol. 23, Iss. 4 — 15 February 1981

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