Electronic charge density in simple metals |
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Authors: | J. Hafner |
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Affiliation: | Max-Planck-Institut für Festkörperforschung Heisenbergstraβe 1, D 7000 Stuttgart 80, Germany |
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Abstract: | The valence electron density is calculated for aluminum, magnesium, and sodium using an OPW-based pseudopotential method. The Fourier transform of the charge density is used to calculate atomic form factors which compare very well with experimental X-ray scattering form factors. The non-local and energy-dependent nature of the pseudopotential and corrections from the orthogonalization hole are shown to be important. |
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