Far Off Equilibrium Dynamics in Clusters and Molecules
| Autor: | Jordan Heraud, Marc Vincendon, Eric Suraud, Phuong Mai Dinh, Paul-Gerhard Reinhard |
|---|---|
| Přispěvatelé: | Laboratoire de Physique Théorique (LPT), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3) |
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
[PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th]
Materials Science (miscellaneous) Biophysics General Physics and Astronomy Electron 01 natural sciences Spectral line law.invention law 0103 physical sciences Molecule molecules ddc:530 Physical and Theoretical Chemistry 010306 general physics Mathematical Physics Physics Observable Time-dependent density functional theory dissipation Dissipation Naturwissenschaftliche Fakultät Laser time-dependent density-functional theory photo-electron distributions lcsh:QC1-999 Computational physics electron emission Excitation lcsh:Physics |
| Zdroj: | Frontiers in Physics, Vol 8 (2020) Front.in Phys. Front.in Phys., 2020, 8, pp.27. ⟨10.3389/fphy.2020.00027⟩ |
| Popis: | International audience; 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. |
| Databáze: | OpenAIRE |
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