Optimal Fourier filtering of a function that is strictly confined within a sphere |
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Authors: | José M. Soler,Eduardo Anglada |
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Affiliation: | Departamento de Física de la Materia Condensada, C-III, Universidad Autónoma de Madrid, E-28049 Madrid, Spain |
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Abstract: | We present an alternative method to filter a distribution, that is strictly confined within a sphere of given radius rc, so that its Fourier transform is optimally confined within another sphere of radius kc. 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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Keywords: | 71.15.-m |
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