Efficient solution of Poisson's equation with free boundary conditions
材料科学
2009-11-11 v1
摘要
Interpolating scaling functions give a faithful representation of a localized charge distribution by its values on a grid. For such charge distributions, using a Fast Fourier method, we obtain highly accurate electrostatic potentials for free boundary conditions at the cost of O(N log N) operations, where N is the number of grid points. Thus, with our approach, free boundary conditions are treated as efficiently as the periodic conditions via plane wave methods.
引用
@article{arxiv.cond-mat/0605371,
title = {Efficient solution of Poisson's equation with free boundary conditions},
author = {Luigi Genovese and Thierry Deutsch and Alexey Neelov and Stefan Goedecker and Gregory Beylkin},
journal= {arXiv preprint arXiv:cond-mat/0605371},
year = {2009}
}
备注
5 pages, 3 figures