Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442): Difference between revisions
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory |
scientific article |
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Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (English)
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20 January 2023
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\textit{ab initio} molecular dynamics
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Kohn-Sham density functional theory
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Hellmann-Feynman force
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finite element method
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isogeometric analysis
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