Photoemission Spectra from the Extended Koopman’s Theorem, Revisited

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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Bibliographic Details
Main Authors: S. Di Sabatino, J. Koskelo, J. Prodhon, J. A. Berger, M. Caffarel, P. Romaniello
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-10-01
Series:Frontiers in Chemistry
Subjects:
extended Koopman’s theorem
strong correlation
photoemission
one-body Green’s function
RDMFT
QMC
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.746735/full

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https://www.frontiersin.org/articles/10.3389/fchem.2021.746735/full

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