Static and dynamic Bethe–Salpeter equations in the T-matrix approximation

Author:

Loos Pierre-François1ORCID,Romaniello Pina23

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France

2. Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS, Toulouse, France

3. European Theoretical Spectroscopy Facility (ETSF)

Abstract

While the well-established GW approximation corresponds to a resummation of the direct ring diagrams and is particularly well suited for weakly correlated systems, the T-matrix approximation does sum ladder diagrams up to infinity and is supposedly more appropriate in the presence of strong correlation. Here, we derive and implement, for the first time, the static and dynamic Bethe–Salpeter equations when one considers T-matrix quasiparticle energies and a T-matrix-based kernel. The performance of the static scheme and its perturbative dynamical correction are assessed by computing the neutral excited states of molecular systems. A comparison with more conventional schemes as well as other wave function methods is also reported. Our results suggest that the T-matrix-based formalism performs best in few-electron systems where the electron density remains low.

Funder

H2020 European Research Council

Agence Nationale de la Recherche

Institut de Chimie

Institut de Physique

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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