Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions (Q1038068)
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scientific article; zbMATH DE number 5634536
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| English | Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions |
scientific article; zbMATH DE number 5634536 |
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Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions (English)
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17 November 2009
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electronic structure theory
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density functional theory
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atom-centered basis functions
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numerical integration grid
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spatial partitioning
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0.7769899964332581
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0.729897141456604
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0.7283524870872498
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