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Density Functional Theory Perspective on the Nonlinear Response of Correlated Electrons across Temperature Regimes
[Image: see text] We explore a new formalism to study the nonlinear electronic density response based on Kohn–Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are able to accurately reproduce the available p...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097288/ https://www.ncbi.nlm.nih.gov/pubmed/35484932 http://dx.doi.org/10.1021/acs.jctc.2c00012 |