Optimized local basis set for Kohn-Sham density functional theory (Q440653): Difference between revisions
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| Property / author: Lin Lin / rank | |||
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| Property / author: Jian-feng Lu / rank | |||
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| Property / Mathematics Subject Classification ID: 82-08 / rank | |||
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| Property / Mathematics Subject Classification ID: 65N30 / rank | |||
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| Property / zbMATH DE Number: 6068247 / rank | |||
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electronic structure | |||
| Property / zbMATH Keywords: electronic structure / rank | |||
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Kohn-Sham density functional theory | |||
| Property / zbMATH Keywords: Kohn-Sham density functional theory / rank | |||
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optimized local basis set | |||
| Property / zbMATH Keywords: optimized local basis set / rank | |||
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discontinuous Galerkin | |||
| Property / zbMATH Keywords: discontinuous Galerkin / rank | |||
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trace minimization | |||
| Property / zbMATH Keywords: trace minimization / rank | |||
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molecular dynamics | |||
| Property / zbMATH Keywords: molecular dynamics / rank | |||
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Pulay force | |||
| Property / zbMATH Keywords: Pulay force / rank | |||
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GMRES | |||
| Property / zbMATH Keywords: GMRES / rank | |||
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preconditioning | |||
| Property / zbMATH Keywords: preconditioning / rank | |||
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Revision as of 00:58, 30 June 2023
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimized local basis set for Kohn-Sham density functional theory |
scientific article |
Statements
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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