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

Abstract

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

3 pages, 2 figures

References in corpus (3)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Filtering a distribution simultaneously in real and Fourier space

Cited by in corpus (1)

• Analytical PAW Projector Functions for Reduced Bandwidth Requirements