ATLAS: a real-space finite-difference implementation of orbital-free density functional theory (Q2374017)
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scientific article
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| English | ATLAS: a real-space finite-difference implementation of orbital-free density functional theory |
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ATLAS: a real-space finite-difference implementation of orbital-free density functional theory (English)
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14 December 2016
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orbital-free density functional theory
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quantum mechanical
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real-space representations
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local pseudopotentials
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0.8229134678840637
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0.7914378643035889
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0.7805064916610718
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0.7537857890129089
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0.7145276069641113
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