English

Optimal Fourier filtering of a function that is strictly confined within a sphere

Materials Science 2015-05-13 v1 Computational Physics

Abstract

We present an alternative method to filter a distribution, that is strictly confined within a sphere of given radius rcr_c, so that its Fourier transform is optimally confined within another sphere of radius kck_c. In electronic structure methods, it can be used to generate optimized pseudopotentials, pseudocore charge distributions, and pseudo atomic orbital basis sets.

Cite

@article{arxiv.0807.5030,
  title  = {Optimal Fourier filtering of a function that is strictly confined within a sphere},
  author = {Jose M. Soler and Eduardo Anglada},
  journal= {arXiv preprint arXiv:0807.5030},
  year   = {2015}
}

Comments

3 pages, 2 figures

R2 v1 2026-06-21T11:06:16.859Z