Total-energy calculations on a real space grid with localized functions and a plane-wave basis. (Q1862425)
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scientific article; zbMATH DE number 1884795
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| English | Total-energy calculations on a real space grid with localized functions and a plane-wave basis. |
scientific article; zbMATH DE number 1884795 |
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Total-energy calculations on a real space grid with localized functions and a plane-wave basis. (English)
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19 March 2003
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electronic structure
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density functional theory
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linear-scaling
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FFT
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systematic
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basis set
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0.7804309129714966
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0.7276187539100647
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0.7272381782531738
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0.7239163517951965
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