4 papers
Many-body quantum chaos in excitonic spectra from first principles
Daniel Hernangómez-Pérez, Rafael A. Molina
We demonstrate that realistic excitonic many-body Hamiltonians obtained from first-principles GW-Bethe-Salpeter equation calculations can exhibit quantum chaos governed by random-m…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Efficient band structure calculations using Gaussian basis functions and application to atomically thin transition-metal dichalcogenides
Rémi Pasquier, MarÃa Camarasa-Gómez, Anna-Sophia Hehn +2
We present a space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density respon…
Generalized many-body exciton g-factors: magnetic hybridization and non-monotonic Rydberg series in monolayer WSe
Paulo E. Faria Junior, Daniel Hernangómez-Pérez, Tomer Amit +2
Magneto-optics of low dimensional semiconductors, such as monolayer transition metal dichalcogenides, offers a vast playground for exploring complex quantum phenomena. However, cur…