A program to generate a basis set adaptive radial quadrature grid for density functional theory (Q603402)
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scientific article; zbMATH DE number 5812994
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| English | A program to generate a basis set adaptive radial quadrature grid for density functional theory |
scientific article; zbMATH DE number 5812994 |
Statements
A program to generate a basis set adaptive radial quadrature grid for density functional theory (English)
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6 November 2010
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radial quadrature
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Gaussian quadrature
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density functional theory
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adaptive grid generation
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automatic quadrature routine
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0.8011569380760193
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0.7194033265113831
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0.6846340894699097
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0.6797043085098267
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0.6780155301094055
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