Far Off Equilibrium Dynamics in Clusters and Molecules - Université Toulouse III - Paul Sabatier - Toulouse INP Accéder directement au contenu
Article Dans Une Revue Front.in Phys. Année : 2020

Far Off Equilibrium Dynamics in Clusters and Molecules

Résumé

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.

Dates et versions

hal-02518065 , version 1 (24-03-2020)

Identifiants

Citer

Phuong Mai Dinh, Marc Vincendon, Jordan Heraud, Eric Suraud, Paul-Gerhard Reinhard. Far Off Equilibrium Dynamics in Clusters and Molecules. Front.in Phys., 2020, 8, pp.27. ⟨10.3389/fphy.2020.00027⟩. ⟨hal-02518065⟩
39 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More