Photoemission Spectra from the Extended Koopman’s Theorem, Revisited

The Extended Koopman’s Theorem (EKT) provides a straightforward way to compute charged excitations from any level of theory. In this work we make the link with the many-body effective energy theory (MEET) that we derived to calculate the spectral function, which is directly related to photoemission...

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Detalles Bibliográficos
Autores principales: Di Sabatino, S., Koskelo, J., Prodhon, J., Berger, J. A., Caffarel, M., Romaniello, P.
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/PMC8531815/
https://www.ncbi.nlm.nih.gov/pubmed/34692643
http://dx.doi.org/10.3389/fchem.2021.746735

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8531815/
https://www.ncbi.nlm.nih.gov/pubmed/34692643
http://dx.doi.org/10.3389/fchem.2021.746735

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