[HTML][HTML] The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …
predicting electronic excitations in chemical compounds and materials. In the realm of …
Benchmark of GW Methods for Core-Level Binding Energies
The GW approximation has recently gained increasing attention as a viable method for the
computation of deep core-level binding energies as measured by X-ray photoelectron …
computation of deep core-level binding energies as measured by X-ray photoelectron …
Connections and performances of Green's function methods for charged and neutral excitations
In recent years, Green's function methods have garnered considerable interest due to their
ability to target both charged and neutral excitations. Among them, the well-established GW …
ability to target both charged and neutral excitations. Among them, the well-established GW …
The three channels of many-body perturbation theory: GW, particle–particle, and electron–hole T-matrix self-energies
R Orlando, P Romaniello, PF Loos - The Journal of Chemical Physics, 2023 - pubs.aip.org
We derive the explicit expression of the three self-energies that one encounters in many-
body perturbation theory: the well-known GW self-energy, as well as the particle–particle …
body perturbation theory: the well-known GW self-energy, as well as the particle–particle …
Self-consistency in formalism leading to quasiparticle-quasiparticle couplings
C Mejuto-Zaera, V Vlček - Physical Review B, 2022 - APS
Within many-body perturbation theory, Hedin's formalism offers a systematic way to
iteratively compute the self-energy Σ of any dynamically correlated interacting system …
iteratively compute the self-energy Σ of any dynamically correlated interacting system …
[HTML][HTML] Connections between many-body perturbation and coupled-cluster theories
Here, we build on the works of Scuseria et al.[J. Chem. Phys. 129, 231101 (2008)] and
Berkelbach [J. Chem. Phys. 149, 041103 (2018)] to show connections between the Bethe …
Berkelbach [J. Chem. Phys. 149, 041103 (2018)] to show connections between the Bethe …
Linear scaling calculations of excitation energies with active-space particle–particle random-phase approximation
We developed an efficient active-space particle–particle random-phase approximation
(ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular …
(ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular …
Can GW handle multireference systems?
Due to the infinite summation of bubble diagrams, the GW approximation of Green's function
perturbation theory has proven particularly effective in the weak correlation regime, where …
perturbation theory has proven particularly effective in the weak correlation regime, where …
[HTML][HTML] Scrutinizing GW-based methods using the Hubbard dimer
S Di Sabatino, PF Loos, P Romaniello - Frontiers in Chemistry, 2021 - frontiersin.org
Using the simple (symmetric) Hubbard dimer, we analyze some important features of the GW
approximation. We show that the problem of the existence of multiple quasiparticle solutions …
approximation. We show that the problem of the existence of multiple quasiparticle solutions …
[HTML][HTML] Are multi-quasiparticle interactions important in molecular ionization?
Photo-emission spectroscopy directly probes individual electronic states, ranging from
single excitations to high-energy satellites, which simultaneously represent multiple …
single excitations to high-energy satellites, which simultaneously represent multiple …