Solution of Poisson's equation for finite systems using plane wave methods
Computational Physics
2007-05-23 v1
Abstract
Reciprocal space methods for solving Poisson's equation for finite charge distributions are investigated. Improvements to previous proposals are presented, and their performance is compared in the context of a real-space density functional theory code. Two basic methodologies are followed: calculation of correction terms, and imposition of a cut-off to the Coulomb potential. We conclude that these methods can be safely applied to finite or aperiodic systems with a reasonable control of speed and accuracy.
Keywords
Cite
@article{arxiv.physics/0012024,
title = {Solution of Poisson's equation for finite systems using plane wave methods},
author = {Alberto Castro and Angel Rubio and M. J. Stott},
journal= {arXiv preprint arXiv:physics/0012024},
year = {2007}
}
Comments
17 pages, 4 figures