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 …

Merging GW with DMFT and non-local correlations beyond

JM Tomczak, P Liu, A Toschi, G Kresse… - The European Physical …, 2017 - Springer
We review recent developments in electronic structure calculations that go beyond state-of-
the-art methods such as density functional theory (DFT) and dynamical mean field theory …

Self-consistent ladder dynamical vertex approximation

J Kaufmann, C Eckhardt, M Pickem, M Kitatani… - Physical Review B, 2021 - APS
We present and implement a self-consistent D Γ A approach for multiorbital models and ab
initio materials calculations. It is applied to the one-band Hubbard model at various …

Oxygen vacancy induced site-selective Mott transition in

X Liao, V Singh, H Park - Physical Review B, 2021 - APS
While defects such as oxygen vacancies in correlated materials can modify their electronic
properties dramatically, understanding the microscopic origin of electronic correlations in …

Strongly correlated physics in organic open-shell quantum systems

G Gandus, D Passerone, R Stadler, M Luisier… - arxiv preprint arxiv …, 2022 - arxiv.org
Strongly correlated physics arises due to electron-electron scattering within partially-filled
orbitals, and in this perspective, organic molecules in open-shell configuration are good …

Interplay between destructive quantum interference and symmetry-breaking phenomena in graphene quantum junctions

A Valli, A Amaricci, V Brosco, M Capone - Physical Review B, 2019 - APS
We study the role of electronic spin and valley symmetry in the quantum interference (QI)
patterns of the transmission function in graphene quantum junctions. In particular, we link it …

Resistance saturation in semi-conducting polyacetylene molecular wires

A Valli, JM Tomczak - Journal of computational electronics, 2023 - Springer
Realizing the promises of molecular electronic devices requires an understanding of
transport on the nanoscale. Here, we consider a Su-Schrieffer-Heeger model for semi …

Realistic theory of electronic correlations in nanoscopic systems

M Schüler, S Barthel, T Wehling, M Karolak… - The European Physical …, 2017 - Springer
Nanostructures with open shell transition metal or molecular constituents host often strong
electronic correlations and are highly sensitive to atomistic material details. This tutorial …

[HTML][HTML] Stability of destructive quantum interference antiresonances in electron transport through graphene nanostructures

A Valli, T Fabian, F Libisch, R Stadler - Carbon, 2023 - Elsevier
We investigate the stability of destructive quantum interference (DQI) in electron transport
through graphene nanostructures connected to source and drain electrodes. The fingerprint …

Effective magnetic correlations in hole-doped graphene nanoflakes

A Valli, A Amaricci, A Toschi, T Saha-Dasgupta, K Held… - Physical Review B, 2016 - APS
The magnetic properties of zigzag graphene nanoflakes (ZGNFs) are investigated within the
framework of inhomogeneous dynamical mean-field theory. At half-filling and for realistic …