Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712): Difference between revisions
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory |
scientific article |
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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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