Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT (Q4591464)
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scientific article; zbMATH DE number 6808484
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| English | Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT |
scientific article; zbMATH DE number 6808484 |
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Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT (English)
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17 November 2017
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orbital-free density functional theory
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electronic structure calculations
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multi-million atoms
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finite element discretization
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aluminum crystals
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0.85776687
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0.8537117
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0.8517257
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0.8193737
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0.8190659
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0.80720264
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0.80297935
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0.79933906
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