AUTHOR=Mai Dinh Phuong , Vincendon Marc , Heraud Jordan , Suraud Eric , Reinhard Paul-Gerhard 

TITLE=Far Off Equilibrium Dynamics in Clusters and Molecules

JOURNAL=Frontiers in Physics

VOLUME=8

YEAR=2020

URL=https://www.frontiersin.org/journals/physics/articles/10.3389/fphy.2020.00027

DOI=10.3389/fphy.2020.00027

ISSN=2296-424X

ABSTRACT=<p>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.</p>