An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model (Q6187645)
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scientific article; zbMATH DE number 7797649
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| English | An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model |
scientific article; zbMATH DE number 7797649 |
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An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model (English)
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31 January 2024
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density functional theory
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gradient flow
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orthonormality-preserving schemes
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energy stability
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