Post-Kohn–Sham Random-Phase Approximation and Correction Terms in the Expectation-Value Coupled-Cluster Formulation

[Image: see text] Using expectation-value coupled-cluster theory and many-body perturbation theory (MBPT), we formulate a series of corrections to the post-Kohn–Sham (post-KS) random-phase approximation (RPA) energy. The beyond-RPA terms are of two types: those accounting for the non-Hartree–Fock re...

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Detalles Bibliográficos
Autores principales: Cieśliński, Dominik, Tucholska, Aleksandra M., Modrzejewski, Marcin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569055/
https://www.ncbi.nlm.nih.gov/pubmed/37774375
http://dx.doi.org/10.1021/acs.jctc.3c00496

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569055/
https://www.ncbi.nlm.nih.gov/pubmed/37774375
http://dx.doi.org/10.1021/acs.jctc.3c00496

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