Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density

[Image: see text] We discuss the interplay between the nondynamic and dynamic electron correlation in excited states from the perspective of the suppression of dynamic correlation (SDC) and enhancement of dynamic correlation (EDC) effects. We reveal that there exists a connection between the ionic c...

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Detalles Bibliográficos
Autores principales: Hapka, Michał, Pernal, Katarzyna, Gritsenko, Oleg V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7467739/
https://www.ncbi.nlm.nih.gov/pubmed/32589027
http://dx.doi.org/10.1021/acs.jpclett.0c01616

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7467739/
https://www.ncbi.nlm.nih.gov/pubmed/32589027
http://dx.doi.org/10.1021/acs.jpclett.0c01616

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