Comparing Self-Consistent GW and Vertex-Corrected G0W0 (G0W0Γ) Accuracy for Molecular Ionization Potentials
We test the performance of self-consistent GW and several representative implementations
of vertex-corrected G 0 W 0 (G 0 W 0Γ). These approaches are tested on benchmark data …
of vertex-corrected G 0 W 0 (G 0 W 0Γ). These approaches are tested on benchmark data …
Two-Component GW Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent GW Variants
A Förster, E van Lenthe, E Spadetto… - Journal of chemical …, 2023 - ACS Publications
We report an all-electron, atomic orbital (AO)-based, two-component (2C) implementation of
the GW approximation (GWA) for closed-shell molecules. Our algorithm is based on the …
the GW approximation (GWA) for closed-shell molecules. Our algorithm is based on the …
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 …
Real-Time : Toward an Ab Initio Description of the Ultrafast Carrier and Exciton Dynamics in Two-Dimensional Materials
We demonstrate the feasibility of the time-linear scaling formulation of the GW method [Phys.
Rev. Lett. 124, 076601 (2020) PRLTAO 0031-9007 10.1103/PhysRevLett. 124.076601] for …
Rev. Lett. 124, 076601 (2020) PRLTAO 0031-9007 10.1103/PhysRevLett. 124.076601] for …
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 …
Low-Order Scaling G0W0 by Pair Atomic Density Fitting
A Förster, L Visscher - Journal of chemical theory and …, 2020 - ACS Publications
We derive a low-scaling G 0 W 0 algorithm for molecules using pair atomic density fitting
(PADF) and an imaginary time representation of the Green's function and describe its …
(PADF) and an imaginary time representation of the Green's function and describe its …
Mean-field concept and post-DMFT methods in the modern theory of correlated systems
YS Lyakhova, GV Astretsov, AN Rubtsov - Uspekhi Fizicheskikh Nauk, 2023 - ufn.ru
We briefly review methods for modeling correlated systems. The concept of correlations is of
fundamental physical importance for systems such as Mott±Hubbard insulators, high …
fundamental physical importance for systems such as Mott±Hubbard insulators, high …
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 …
Time-linear scaling nonequilibrium Green's function methods for real-time simulations of interacting electrons and bosons. I. Formalism
Simulations of interacting electrons and bosons out of equilibrium, starting from first
principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge …
principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge …
Solving the Bethe-Salpeter equation with exponential convergence
The Bethe-Salpeter equation plays a crucial role in understanding the physics of correlated
fermions, relating to optical excitations in solids as well as resonances in high-energy …
fermions, relating to optical excitations in solids as well as resonances in high-energy …