75 citations · 117 across the 8 of their papers we have counts for
8 papers
Characterization of Exciton-exciton entanglement and correlations
Fangzhou Zhao, Carlos Mejuto-Zaera, Angel Rubio +1
Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as tra…
Symmetry-resolved topology from interacting Green's functions
Gaurav Harsha, Selina Dirnböck, Emanuel Gull +3
Topological phases in narrow-gap materials often arise from a delicate interplay of spin-orbit coupling (SOC) and electron correlation, making their prediction sensitive to the und…
A Unified Simulation Framework for Correlated Driven-Dissipative Quantum Dynamics
Thomas Blommel, Enrico Perfetto, Gianluca Stefanucci +1
Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral…
Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
Pavlo Golub, Chao Yang, Vojtěch Vlček +1
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost.…
Reduced scaling of optimal regional orbital localization via sequential exhaustion of the single-particle space
Guorong Weng, Mariya Romanova, Arsineh Apelian +2
Wannier functions have become a powerful tool in the electronic structure calculations of extended systems. The generalized Pipek-Mezey Wannier functions exhibit appealing characte…
Self-consistency in formalism leading to quasiparticle-quasiparticle couplings
Carlos Mejuto-Zaera, Vojtěch Vlček
Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy of any interacting system, provided one can evaluate the…
Quasiparticles and Band Transport in Organized Nanostructures of Donor-Acceptor Copolymers
Guorong Weng, Vojtěch Vlček
The performance of organic semiconductor devices is linked to highly-ordered nanostructures of self-assembled molecules and polymers. We employ many-body perturbation theory and st…
Swift beyond electrons using fractured stochastic orbitals
Vojtěch Vlček, Wenfei Li, Roi Baer +2
We introduce the concept of fractured stochastic orbitals (FSOs), short vectors that sample a small number of space points and enable an efficient stochastic sampling of any genera…