2 papers
cond-mat.mtrl-sci2025
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…
physics.chem-ph2025
An electrical molecular motor driven by angular momentum transfer
Julian Skolaut, Å tÄpán Marek, Nico Balzer +9
The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors and, more generally, machines. A molecular motor is characterized by a…