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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 15: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions I (joint session O/CPP/DS/HL)
CPP 15.6: Vortrag
Montag, 16. März 2020, 12:00–12:15, GER 38
Dynamical vertex corrections beyond GW from time-dependent density-functional theory — •Georg S. Michelitsch1,2, Lucia Reining1,2, and Matteo Gatti1,2 — 1Laboratoire des Solides Irradiés, École Polytechnique, F-91128 Palaiseau, France — 2European Theoretical Spectroscopy Facility (ETSF)
Strong many-body effects in solid state materials are the reason for features
such as satellites in electronic excitation spectra. Many-body perturbation
theory approaches based on the Green’s function formalism are the
state-of-the-art in their understanding, commonly applied in terms of the GW
approximation to the self-energy, which neglects the so-called vertex
correction in Hedin’s equations. Although successful for some observables such
as band gaps, this approximation cannot sufficiently well describe satellite
peaks observed in experiment. Vertex corrections beyond GW can be taken into
account thanks to time-dependent density-functional theory[1]. However,
only adiabatic approximations have been considered so far. Here we make use of
a non-adiabatic approximation[2] to investigate dynamical vertex
corrections within a model self-energy. We compare our results to calculations
where a static vertex is included and report first successes in terms of a
correction to the satellites in the spectral function of sodium.
[1] R. Del Sole et al. Phys. Rev. B, 49, 8024 (1994)
[2] M. Panholzer et al. Phys. Rev. Lett., 120, 166402 (2018)