347 citations · 526 across the 7 of their papers we have counts for
7 papers
Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
Norah M. Hoffmann, Christian Schäfer, Angel Rubio +2
We describe vacuum fluctuations and photon-field correlations in interacting quantum mechanical light-matter systems, by generalizing the application of mixed quantum-classical dyn…
Self-Consistent Density-Functional Embedding: a Novel Approach for Density-Functional Approximations
Uliana Mordovina, Teresa E. Reinhard, Iris Theophilou +2
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Th…
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…
Non-adiabatic and time-resolved photoelectron spectroscopy for molecular systems
Johannes Flick, Heiko Appel, Angel Rubio
We quantify the non-adiabatic contributions to the vibronic sidebands of equilibrium and explicitly time-resolved non-equilibrium photoelectron spectra for a vibronic model system…
Förster-induced energy transfer in functionalized graphene
Ermin Malic, Heiko Appel, Oliver T. Hofmann +1
Carbon nanostructures are ideal substrates for functionalization with molecules, since they consist of a single atomic layer giving rise to an extraordinary sensitivity to changes…
A quantum reactive scattering perspective on electronic nonadiabaticity
Yang Peng, Luca M. Ghiringhelli, Heiko Appel
Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We invest…