158 citations · 777 across the 35 of their papers we have counts for
36 papers
Benchmark of Multi-Channel Dyson Equation and Algebraic Diagrammatic Construction Methods for molecules
Mike Keizer, Stefano Paggi, J. Arjan Berger +2
The Dyson-algebraic diagrammatic construction (ADC) and the multi-channel Dyson equation (MCDE) formalisms explicitly leverage multi-particle channels to formulate correlated theor…
Core and valence photoemission spectra of atoms and molecules from a multichannel Dyson equation
Stefano Paggi, J. Arjan Berger, Pina Romaniello
We recently presented multichannel Dyson equations for the \textit{ab initio} simulation of various spectroscopies. In particular, we introduced a multichannel Dyson equation for t…
Algebraic Diagrammatic Construction of the Multichannel Dyson Equation
Thibault Demartini, J. Arjan Berger, Guillaume Blanchon +4
The multichannel Dyson equation (MCDE) was recently introduced as a new approximation scheme to compute the one-body Green function in many-body systems, as reported by Riva et al.…
The multichannel Dyson equation for double ionisation spectroscopies
Pierre Sellié, J. Arjan Berger, Pina Romaniello
Several photoemission spectroscopies and, in particular, Auger spectroscopy, involve double-ionization processes. For the numerical simulation of these spectroscopies it is conveni…
Direct and inverse photoemission spectra from the screened multichannel Dyson equation
Pina Romaniello, J. Arjan Berger
We present the screened multichannel Dyson equation for the simulation of both direct and inverse photoemission spectra from first principles. The screened multichannel Dyson equat…
Ground and excited-state properties of the extended Hubbard dimer from the multichannel Dyson equation
Stefano Paggi, J. Arjan Berger, Pina Romaniello
We have recently presented the multichannel Dyson equation as an alternative to the standard single-channel Dyson equation. While the latter involves a single many-body Green's fun…
Multichannel Dyson equations for even- and odd-order Green's functions: application to double excitations
Gabriele Riva, Théodore Fischer, Stefano Paggi +2
We extend the concept of the multichannel Dyson equation that we have recently derived to model photoemission spectra by coupling the one- and the three-body Green's functions, to…
Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
Antoine Marie, Pina Romaniello, Xavier Blase +1
The Bethe-Salpeter equation has been extensively employed to compute the two-body electron-hole propagator and its poles which correspond to the neutral excitation energies of the…
Multichannel Dyson equation: derivation and analysis
Gabriele Riva, Pina Romaniello, J. Arjan Berger
In a recent letter [Phys. Rev. Lett. 131, 216401] we presented the multichannel Dyson equation (MCDE) in which two or more many-body Green's functions are coupled. In this work we…
Anomalous propagators and the particle-particle channel: Hedin's equations
Antoine Marie, Pina Romaniello, Pierre-François Loos
Hedin's equations provide an elegant route to compute the exact one-body Green's function (or propagator) via the self-consistent iteration of a set of non-linear equations. Its fi…
The multi-channel Dyson equation: coupling many-body Green's functions
Gabriele Riva, Pina Romaniello, J. Arjan Berger
We present the multi-channel Dyson equation that combines two or more many-body Green's functions to describe the electronic structure of materials. In this work we use it to model…
The three channels of many-body perturbation theory: , particle-particle, and electron-hole -matrix self-energies
Roberto Orlando, Pina Romaniello, Pierre-François Loos
We derive the explicit expression of the three self-energies that one encounters in many-body perturbation theory: the well-known self-energy, as well as the particle-particle…
Exploring new exchange-correlation kernels in the Bethe-Salpeter equation: a study of the asymmetric Hubbard dimer
Roberto Orlando, Pina Romaniello, Pierre-François Loos
The Bethe-Salpeter equation (BSE) is the key equation in many-body perturbation theory based on Green's functions to access response properties. Within the approximation to th…
Assignment of excitonic insulators in \textit{ab initio} theories: the case of NiBr
Stefano Di Sabatino, Alejandro Molina-Sánchez, Pina Romaniello +1
In this work we perform a detailed first-principles analysis of the electronic and optical properties of NiBr within the state-of-the-art +BSE scheme to determine whether t…
Screened extended Koopmans' theorem: photoemission at weak and strong correlation
S. Di Sabatino, J. Koskelo, J. A. Berger +1
By introducing electron screening in the extended Koopmans' theorem we correctly describe the band gap opening in weakly as well as strongly correlated systems. We show this by app…
Static and Dynamic Bethe-Salpeter Equations in the -Matrix Approximation
Pierre-François Loos, Pina Romaniello
While the well-established approximation corresponds to a resummation of the direct ring diagrams and is particularly well suited for weakly-correlated systems, the -matrix…
Introducing screening in one-body density matrix functionals: impact on the Extended Koopmans' Theorem's charged excitations of model systems
S. Di Sabatino, J. Koskelo, J. A. Berger +1
In this work we get insight into the impact of reduced density matrix functionals on the quality of removal/addition energies obtained using the Extended Koopmans' Theorem (EKT). W…
Photoemission spectral functions from the three-body Green's function
Gabriele Riva, Timothée Audinet, Matthieu Vladaj +2
We present an original strategy for the calculation of direct and inverse photo-emission spectra from first principles. The main goal is to go beyond the standard Green's function…
Scrutinizing -based methods using the Hubbard dimer
Stefano Di Sabatino, Pierre-François Loos, Pina Romaniello
Using the simple (symmetric) Hubbard dimer, we analyze some important features of the approximation. We show that the problem of the existence of multiple quasiparticle soluti…
Photoemission spectra from the Extended Koopman's Theorem, revisited
S. Di Sabatino, J. Koskelo, J. Prodhon +3
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 effect…
Restricted Stacks as Functions
Katalin Berlow
The stack sort algorithm has been the subject of extensive study over the years. In this paper we explore a generalized version of this algorithm where instead of avoiding a single…
Optical spectra of 2D monolayers from time-dependent density functional theory
Stefano Di Sabatino, J. A. Berger, Pina Romaniello
The optical spectra of two-dimensional (2D) periodic systems provide a challenge for time-dependent density-functional theory (TDDFT) because of the large excitonic effects in thes…
Accurate optical spectra of solids from pure time-dependent density-functional theory
Sarah Cavo, J. A. Berger, Pina Romaniello
We present accurate optical spectra of semiconductors and insulators within a pure Kohn-Sham time-dependent density-functional approach. In particular, we show that the onset of th…
Many-Body Effective Energy Theory: photoemission at strong correlation
S. Di Sabatino, J. A. Berger, P. Romaniello
In this work we explore the performance of a recently derived many-body effective energy theory for the calculation of photoemission spectra in the regime of strong electron correl…