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arXiv · 0807.5030

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

Jose M. Soler·Eduardo Anglada
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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.

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Jose M. Soler, Eduardo Anglada. 2008-07-31. Optimal Fourier filtering of a function that is strictly confined within a sphere. https://doi.org/10.1016/j.cpc.2009.01.017

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