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Self-Consistent Implementation of Kohn–Sham Adiabatic Connection Models with Improved Treatment of the Strong-Interaction Limit
[Image: see text] Adiabatic connection models (ACMs), which interpolate between the limits of weak and strong interaction, are powerful tools to build accurate exchange–correlation functionals. If the exact weak-interaction expansion from the second-order perturbation theory is included, a self-cons...
| 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/PMC9558377/ https://www.ncbi.nlm.nih.gov/pubmed/36094908 http://dx.doi.org/10.1021/acs.jctc.2c00352 |