Self-consistency in $GW\Gamma$ formalism leading to quasiparticle-quasiparticle couplings

Abstract

Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy $\Sigma$ of any interacting system, provided one can evaluate the interaction vertex $\Gamma$ exactly. This is however impossible in general, for it involves the functional derivative of $\Sigma$ with respect to the Green's function. Here, we analyze the structure of this derivative, splitting it into four contributions and outlining the type of quasiparticle interactions that each of them generate. Moreover we show how, in the implementation of self-consistency, the action of these contributions can be classified into two: a quantitative renormalization of previously included interaction terms, and the inclusion of qualitatively novel interaction terms through successive functional derivatives of $\Gamma$ itself, neglected until now. Implementing this latter type of self-consistency can extend the validity of Hedin's equations towards the high interaction limit, as we show in the example of the Hubbard dimer. Our analysis also provides a unifying perspective on the perturbation theory landscape, showing how the T-matrix approach is completely contained in Hedin's formalism.

Main manuscript: 6 pages, 3 figures. SI: 15 pages, 3 figures

References in corpus (6)

• First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
• The GW compendium: A practical guide to theoretical photoemission spectroscopy
• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Beyond the GW approximation: combining correlation channels
• Satellite Band Structure in Silicon Caused by Electron-Plasmon Coupling
• Non-linear response in the cumulant expansion for core hole photoemission

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