Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections

[Image: see text] For revDSD double hybrids, the Görling–Levy second-order perturbation theory component is an Achilles’ heel when applied to systems with significant near-degeneracy (“static”) correlation. We have explored its replacement by the direct random phase approximation (dRPA), inspired by...

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Detalles Bibliográficos
Autores principales: Santra, Golokesh, Semidalas, Emmanouil, Martin, Jan M. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279643/
https://www.ncbi.nlm.nih.gov/pubmed/34019413
http://dx.doi.org/10.1021/acs.jpca.1c01295

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279643/
https://www.ncbi.nlm.nih.gov/pubmed/34019413
http://dx.doi.org/10.1021/acs.jpca.1c01295

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