On the calculation of charge densities in crystals |
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Authors: | DJ Newman |
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Institution: | Department of Physics, Queen Mary College, Mile End Road, London E1 4NS, England |
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Abstract: | A general method is given for determining the spatial charge distribution of a filled electronic band using Bloch state charge distributions determined at very few k points. Formulae are given for several important cases. |
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Keywords: | |
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