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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| 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 |