The multichannel Dyson equation for double ionisation spectroscopies

TL;DR

This paper introduces a multichannel Dyson equation approach that improves the simulation of double-ionization spectroscopies by capturing both quasiparticles and satellite features beyond the random phase approximation.

Contribution

It develops a multichannel Dyson equation framework coupling various Green's function channels to include correlations beyond RPA in spectroscopic simulations.

Findings

Successfully describes both quasiparticles and satellite features.

Extends standard RPA by coupling particle-particle and multi-hole channels.

Provides a more accurate theoretical tool for double-ionization spectroscopy analysis.

Abstract

Several photoemission spectroscopies and, in particular, Auger spectroscopy, involve double-ionization processes. For the numerical simulation of these spectroscopies it is convenient to use the particle-particle channel of the two-body Green's functions since its poles correspond to excitation energies in which the final state has two more particles (holes or electrons) than the initial state. In standard approaches it is approximated within the random phase approximation. As a consequence only the quasiparticles of the photoemission spectrum are captured but none of the satellites features. In this work, we go beyond this approximation by employing the multichannel Dyson equation. By coupling the particle-particle two-body Green's function to the 3-hole-1-electron and 3-electron-1-hole channels of the four-body Green's function, the multichannel Dyson equation incorporates correlations beyond the RPA in a straightforward way. We are thus able to describe both quasiparticles and satellites in the photoemission spectra.