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[hal-02518065] Far Off Equilibrium Dynamics in Clusters and Molecules  (01/07/2020)   Moins
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.

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[hal-01989131] The Two-Set and Average-Density Self-Interaction Corrections Applied to Small Electronic Systems  (10/04/2020)   Plus
[hal-01987485] Basin Entropy, a Measure of Final State Unpredictability and Its Application to the Chaotic Scattering of Cold Atoms  (28/02/2020)   Plus
[hal-01913324] On the inclusion of dissipation on top of mean-field approaches  (27/02/2020)   Plus
[hal-01912209] Unphysical Discontinuities in GW Methods  (29/02/2020)   Plus
[hal-01902454] Enhanced energy absorption through dissipation in metal clusters  (10/04/2020)   Plus
[hal-01834294] Optical properties from time-dependent current-density-functional theory: the case of the alkali metals Na, K, Rb, and Cs  (29/02/2020)   Plus
[hal-01802937] Green Functions and Self-Consistency: Insights From the Spherium Model  (29/02/2020)   Plus

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Théorie de la fonctionnelle de la densité dépendante du temps Phénomènes dépendant du temps processus d'excitation et de relaxation Ionization mechanisms Molecular irradiation Time-dependent density-functional theory Collisional Time-Dependent Hartree-Fock Méchanismes d'ionisation Propriétés électroniques d'agrégats métalliques et de molécules organiques Chaos Molecules Mid-Atlantic Ridge Angle-resolved photoelectron spectroscopy Electron-surface collision Spectroscopie de photoélectrons résolue en angle Au-delà du champ moyen Time-dependent Density Functional Theory Irradiation moléculaire Rate equations Agrégats Coulomb explosion MBPT Dissipation Photon interactions with free systems Propriétés électroniques d'agrégats de sodium et de carbone RDMFT Nanoplasma Deposition dynamics Rare gas matrix Extended Time-Dependent Hartree-Fock High intensity lasers Théorie de la Fonctionnelle de la Densité dépendant du temps Théorie de la fonctionnelle de la densité Energy spectrum Time-Dependent Density Functional Theory TD-DFT Electron emission Interactions de photons avec des systèmes libres Relaxation Correction d'auto-interaction Agregats Matel clusters Stochastic Time-Dependent Hartree-Fock Density-functional theory TDDFT Beyond mean field Molecular dynamics Rare gas environment Time-Dependent DFT Rare gas matrices Réponse optique Mid-ocean ridge Atom laser Clusters Inverse bremsstrahlung collisions Electric field Effets dissipatifs Density Functional Theory Metal clusters Metal cluster TDDFT-MD Corrélations Explosion coulombienne Temperature effects Electronic excitation Hydrothermalism Hierarchical method Embedded metal cluster Plasmon resonance Dynamique moléculaire Lasers intenses Heat flux Environment Coulomb presssure Electronic properties of sodium and carbon clusters Photo-electron distributions Deposition Ar environment Collision frequency Rare gas surface TDCDFT Matrice densité Density matrix Laser Electron correlation Théorie de la Fonctionnelle de la Densité Dépendant du Temps TD-DFT Electronic properties of metal clusters and organic molecules Faulting Oceanic crust Photo-Electron Spectrum Dissipative effects Fission Plasmon Self-interaction correction Optical response TDLA Electronic emission Landau damping Pump-and-probe Dynamics Spectroscopy Hierarchical model