[HTML][HTML] The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

D Golze, M Dvorak, P Rinke - Frontiers in chemistry, 2019 - frontiersin.org
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 …

Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory

G Rohringer, H Hafermann, A Toschi, AA Katanin… - Reviews of Modern …, 2018 - APS
Strong electronic correlations pose one of the biggest challenges to solid state theory.
Recently developed methods that address this problem by starting with the local, eminently …

Sparse sampling approach to efficient ab initio calculations at finite temperature

J Li, M Wallerberger, N Chikano, CN Yeh, E Gull… - Physical Review B, 2020 - APS
Efficient ab initio calculations of correlated materials at finite temperatures require compact
representations of the Green's functions both in imaginary time and in Matsubara frequency …

[HTML][HTML] Phase diagram of nickelate superconductors calculated by dynamical vertex approximation

K Held, L Si, P Worm, O Janson, R Arita, Z Zhong… - Frontiers in …, 2022 - frontiersin.org
We review the electronic structure of nickelate superconductors with and without effects of
electronic correlations. As a minimal model, we identify the one-band Hubbard model for the …

Quantum embedding theories to simulate condensed systems on quantum computers

C Vorwerk, N Sheng, M Govoni, B Huang… - Nature Computational …, 2022 - nature.com
Quantum computers hold promise to improve the efficiency of quantum simulations of
materials and to enable the investigation of systems and properties that are more complex …

Beyond the quasiparticle approximation: Fully self-consistent calculations

M Grumet, P Liu, M Kaltak, J Klimeš, G Kresse - Physical Review B, 2018 - APS
We present quasiparticle (QP) energies from fully self-consistent GW (sc GW) calculations
for a set of prototypical semiconductors and insulators within the framework of the projector …

[HTML][HTML] Ab initio description of highly correlated states in defects for realizing quantum bits

M Bockstedte, F Schütz, T Garratt, V Ivády… - npj Quantum …, 2018 - nature.com
Coupled localized electron spins hosted by defects in semiconductors implement quantum
bits with the potential to revolutionize nanoscale sensors and quantum information …

[HTML][HTML] Thermoelectricity in correlated narrow-gap semiconductors

JM Tomczak - Journal of Physics: Condensed Matter, 2018 - iopscience.iop.org
We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …

Can GW handle multireference systems?

A Ammar, A Marie, M Rodríguez-Mayorga… - The Journal of …, 2024 - pubs.aip.org
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 …

Tiling with triangles: parquet and methods unified

F Krien, A Kauch, K Held - Physical Review Research, 2021 - APS
The parquet formalism and Hedin's GW γ approach are unified into a single theory of vertex
corrections, corresponding to an exact reformulation of the parquet equations in terms of …