The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules

We use the GW100 benchmark set to systematically judge the quality of several perturbation theories against high-level quantum chemistry methods. First of all, we revisit the reference CCSD(T) ionization potentials for this popular benchmark set and establish a revised set of CCSD(T) results. Then,...

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Detalles Bibliográficos
Autores principales: Bruneval, Fabien, Dattani, Nike, van Setten, Michiel J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733722/
https://www.ncbi.nlm.nih.gov/pubmed/35004607
http://dx.doi.org/10.3389/fchem.2021.749779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733722/
https://www.ncbi.nlm.nih.gov/pubmed/35004607
http://dx.doi.org/10.3389/fchem.2021.749779

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