Many-Body Perturbation Theory with Localized Orbitals: Accounting for Localization Diagrams as Integral Dressing

[Image: see text] We argue that the so-called localization diagrams, originating from off-diagonal Fockian elements, do not have to be dealt with explicitly in the Davidson–Kapuy many-body perturbation theory with localized orbitals but can be accounted for by dressed two-electron integrals.

Detalles Bibliográficos
Autores principales: Surján, Péter R., Szabados, Ágnes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295124/
https://www.ncbi.nlm.nih.gov/pubmed/35441515
http://dx.doi.org/10.1021/acs.jctc.2c00120
Descripción
Sumario:[Image: see text] We argue that the so-called localization diagrams, originating from off-diagonal Fockian elements, do not have to be dealt with explicitly in the Davidson–Kapuy many-body perturbation theory with localized orbitals but can be accounted for by dressed two-electron integrals.

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