599 citations · 3k across the 39 of their papers we have counts for
3 papers · 1 filter
Ab-initio investigation of Er3+ defects in tungsten disulfide
Gabriel I. López-Morales, Alexander Hampel, Gustavo E. López +3
We use density functional theory (DFT) to explore the physical properties of an point defect in monolayer . Our calculations indicate that electrons localize at…
Cavity control of nonlinear phononics
Dominik M. Juraschek, Tomáš Neuman, Johannes Flick +1
Nonlinear interactions between phonon modes govern the behavior of vibrationally highly excited solids and molecules. Here, we demonstrate theoretically that optical cavities can b…
Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
Michael Ruggenthaler, Johannes Flick, Camilla Pellegrini +3
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized elec…