599 citations · 3.4k across the 44 of their papers we have counts for
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Photoionization and transient Wannier-Stark ladder in silicon: First principle simulations versus Keldysh theory
Thibault J. -Y. Derrien, Nicolas Tancogne-Dejean, Vladimir P. Zhukov +3
Nonlinear photoionization of dielectrics and semiconductors is widely treated in the frames of the Keldysh theory whose validity is limited to small photon energies compared to the…
Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals
Chi Liu, Jan Kloppenburg, Xinguo Ren +3
The Bethe-Salpeter equation (BSE) based on GW quasiparticle levels is a successful approach for calculating the optical gaps and spectra of solids and also for predicting the neutr…
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…
Measuring excitation-energy transfer with a real-time time-dependent density functional theory approach
Dirk Hofmann, Heiko Appel, Massimiliano Di Ventra +1
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the sto…
Stochastic quantum molecular dynamics for finite and extended systems
Heiko Appel, Massimiliano Di Ventra
We present a detailed account of the technical aspects of stochastic quantum molecular dynamics, an approach introduced recently by the authors [H. Appel and M. Di Ventra, Phys. Re…
Stochastic Quantum Molecular Dynamics
Heiko Appel, Massimiliano Di Ventra
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics…