Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (Q2246291): Difference between revisions

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Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
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    Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (English)
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    16 November 2021
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    Kohn-Sham density functional theory
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    nonlocal pseudopotentials
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    higher-order finite element methods
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    isogeometric analysis
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    generalized eigenvalue problems
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