Far Off Equilibrium Dynamics in Clusters and Molecules

Language
en
Document Type
Article
Issue Date
2020-02-19
First published
2020-02-19
Issue Year
2020
Authors
Mai Dinh, Phuong
Vincendon, Marc
Heraud, Jordan
Suraud, Eric
Reinhard, Paul-Gerhard
Editor
Publisher
Frontiers Media S.A.
Abstract

This brief review illustrates on a few typical applications fully fledged dynamical simulations of finite electronic systems (atoms, molecules, clusters) using time-dependent density-functional theory (TDDFT). It concentrates on aspects which are different from nuclear applications. These are: the correct handling of electron emission, the self-interaction correction, the enormous versatility of laser excitation to probe systems properties, and with it the exploitation of detailed observables of electron emission as photo-electron angular distributions and photo-electron spectra (PES). Finally, we demonstrate the impact of electronic dissipation putting question marks on the reliability of TDDFT simulations over long times.

Journal Title
Frontiers in Physics
Volume
8
Citation
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