Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423)

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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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