Optimized local basis set for Kohn-Sham density functional theory (Q440653): Difference between revisions
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Revision as of 00:16, 5 March 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimized local basis set for Kohn-Sham density functional theory |
scientific article |
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Optimized local basis set for Kohn-Sham density functional theory (English)
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19 August 2012
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electronic structure
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Kohn-Sham density functional theory
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optimized local basis set
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discontinuous Galerkin
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trace minimization
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molecular dynamics
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Pulay force
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GMRES
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preconditioning
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