A Particle-Particle, Particle-Density (P3D) algorithm for the calculation of electrostatic interactions of particles with slab-like geometry
arXiv:0707.2569 · doi:10.1063/1.2804382
Abstract
We present a fast and accurate method to calculate the electrostatic energy and forces of interacting particles with the boundary conditions appropriate to surfaces, i.e periodic in the two directions parallel to the surface and free in the perpendicular direction. In the spirit of the Ewald method the problem is divided into a short range and long range part. The charge density responsible for the long range part is represented by plane waves in the periodic directions and by finite elements in the non-periodic direction. Our method has computational complexity of O(N_g log(N_g)) with a very small prefactor, where N_g is the number of grid points.
It has 19 pages and 4 figures
References in corpus (7)
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- Electrostatics in Periodic Slab Geometries I
- Efficient and accurate three dimensional Poisson solver for surface problems
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- MMM2D: A fast and accurate summation method for electrostatic interactions in 2D slab geometries
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Cited by in corpus (5)
- Fast and spectrally accurate Ewald summation for 2-periodic electrostatic systems
- A fast spectral method for electrostatics in doubly-periodic slit channels
- Rigorous Error Bounds for Ewald Summation of Electrostatics at Planar Interfaces
- Highly accurate and efficient algorithm for electrostatic interaction of charged particles confined by metallic parallel plates
- The Metropolis Monte Carlo Finite Element Algorithm for Electrostatic Interactions