An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689)
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scientific article; zbMATH DE number 7538374
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| English | An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory |
scientific article; zbMATH DE number 7538374 |
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An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (English)
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8 June 2022
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density functional theory
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all-electron calculations
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total energy minimization
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orthogonalization-free
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scalability
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0.89808416
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0.89158434
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0.8910284
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0.8812095
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0.8781477
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