Calculation of shape-truncation functions for cubic cells (Q1581138)
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scientific article; zbMATH DE number 1508277
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Calculation of shape-truncation functions for cubic cells |
scientific article; zbMATH DE number 1508277 |
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Calculation of shape-truncation functions for cubic cells (English)
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19 June 2001
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The aim of the paper is to calculate the shape function coefficients by a new method developed by combining analytical and numerical techniques. The author calculates the shape function coefficients for all cells of cubic symmetry. Coefficients to evaluate three-dimensional integrals occuring in electronic structure calculations are also obtained. Comparing considerations are given.
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shape function coefficients
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cells of cubic symmetry
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semianalytical method
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electronic structure
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0.7154295444488525
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0.7040208578109741
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