Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423)
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| English | Higher-order finite-difference formulation of periodic orbital-free density functional theory |
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Higher-order finite-difference formulation of periodic orbital-free density functional theory (English)
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20 December 2016
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finite-differences
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real-space
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fixed-point
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Anderson mixing
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conjugate gradient
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electronic structure
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0.8539593815803528
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0.8229134678840637
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0.7698286175727844
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0.7626961469650269
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