72 citations · 322 across the 28 of their papers we have counts for
28 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…
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…
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…
Solution to the Thomson problem for Clifford tori with an application to Wigner crystals
Amer Alrakik, Miguel Escobar Azor, Véronique Brumas +3
In its original version, the Thomson problem consists of the search for the minimum-energy configuration of a set of point-like electrons that are confined to the surface of a two-…
Mapping of Hückel Zigzag Carbon Nanotubes onto independent Polyene chains: application to periodic Nanotubes
Grégoire François, Celestino Angeli, Gian Luigi Bendazzoli +3
The electric polarizability and the spread of the total position tensors are used to characterize the metallic vs insulator nature of large (finite) systems. Finite clusters are us…
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…
The Wigner localization of interacting electrons in a one-dimensional harmonic potential
Xabier Telleria-Allika, Miguel Escobar Azor, Grégoire François +5
approaches. We demonstrate that the Wigner regime can be reached using small values of the confinement parameter. To obtain physical insight in our results we analyze them with a s…
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…
A unique one-body position operator for periodic systems
Stefano Evangelisti, Faten Abu-Shoga, Celestino Angeli +2
In this work we proof that the one-body position operator for periodic systems that we have recently proposed [Phys. Rev. B 99, 205144] is unique modulo a phase factor and an addit…
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…
Clifford Boundary Conditions for Periodic Systems: the Madelung Constant of Cubic Crystals in 1, 2 and 3 Dimensions
Nicolas Tavernier, Gian Luigi Bendazzoli, Véronique Brumas +2
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed…
Wigner localization in two and three dimensions: an \emph{ab initio} approach
Miguel Escobar Azor, Estefania Alves, Stefano Evangelisti +1
In this work we investigate the Wigner localization of two interacting electrons at very low density in two and three dimensions using the exact diagonalization of the many-body Ha…
The localization spread and polarizability of rings and periodic chains
Celestino Angeli, Gian Luigi Bendazzoli, Stefano Evangelisti +1
The localization spread gives a criterion to decide between metallic versus insulating behaviour of a material. It is defined as the second moment cumulant of the many-body positio…
Accurate ground-state energies of Wigner crystals from a simple real-space approach
Estefania Alves, Gian Luigi Bendazzoli, Stefano Evangelisti +1
We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in 1, 2, and 3 dimensions. To be precise, we calculate the…
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…
Photoemission spectrum in paramagnetic FeO under pressure: towards an \textit{ab-initio} description
S. Di Sabatino, J. Koskelo, J. A. Berger +1
In this work we provide an exhaustive study of the photemission spectrum of paramagnetic FeO under pressure using a refined version of our recently derived many-body effective ener…
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…
A simple position operator for periodic systems
Emilia Aragao Valença, Diego Moreno, Stefano Battaglia +5
We present a position operator that is compatible with periodic boundary conditions (PBC). It is a one-body operator that can be applied in calculations of correlated materials by…