Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712): Difference between revisions
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Property / author: E. Weinan / rank | |||
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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 | |||
Property / zbMATH Keywords: relativistic density functional theory / rank | |||
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Dirac-Kohn-Sham equations | |||
Property / zbMATH Keywords: Dirac-Kohn-Sham equations / rank | |||
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spin-orbit coupling | |||
Property / zbMATH Keywords: spin-orbit coupling / rank | |||
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iterative methods | |||
Property / zbMATH Keywords: iterative methods / rank | |||
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LOBPCG-F | |||
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variational collapse | |||
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spectral pollution | |||
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Property / arXiv ID: 1211.1446 / rank | |||
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Latest revision as of 13:56, 18 April 2024
scientific article
Language | Label | Description | Also known as |
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English | Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory |
scientific article |
Statements
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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