Far Off Equilibrium Dynamics in Clusters and Molecules

Mai Dinh P, Vincendon M, Heraud J, Suraud E, Reinhard PG (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Frontiers in Physics Frontiers Media

Book Volume: 8

Article Number: 27

DOI: 10.3389/fphy.2020.00027

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.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Université Fédérale de Toulouse Midi-Pyrénées FR France (FR)

How to cite

APA:

Mai Dinh, P., Vincendon, M., Heraud, J., Suraud, E., & Reinhard, P.-G. (2020). Far Off Equilibrium Dynamics in Clusters and Molecules. Frontiers in Physics, 8. https://doi.org/10.3389/fphy.2020.00027

MLA:

Mai Dinh, Phuong, et al. "Far Off Equilibrium Dynamics in Clusters and Molecules." Frontiers in Physics 8 (2020).

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