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...

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Detalles Bibliográficos
Autores principales: Śmiga, Szymon, Della Sala, Fabio, Gori-Giorgi, Paola, Fabiano, Eduardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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