A Proximal Gradient Method for Ensemble Density Functional Theory (Q5502093)
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scientific article; zbMATH DE number 6472897
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A Proximal Gradient Method for Ensemble Density Functional Theory |
scientific article; zbMATH DE number 6472897 |
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A Proximal Gradient Method for Ensemble Density Functional Theory (English)
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17 August 2015
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ensemble density functional theory
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Kohn-Sham total energy minimization
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orthogonality/spherical constraints
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proximal gradient method
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