Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712): Difference between revisions

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Property / Mathematics Subject Classification ID: 65H10 / rank
 
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Property / zbMATH DE Number: 6659708 / rank
 
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relativistic density functional theory
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Dirac-Kohn-Sham equations
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spin-orbit coupling
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iterative methods
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LOBPCG-F
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variational collapse
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spectral pollution
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Revision as of 08:42, 28 June 2023

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Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory
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    Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (English)
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    5 December 2016
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    relativistic density functional theory
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    Dirac-Kohn-Sham equations
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    spin-orbit coupling
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    iterative methods
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    LOBPCG-F
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    variational collapse
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    spectral pollution
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