Fonctionnelles de la densité: des systèmes atomiques aux systèmes nucléaires

Session

Afternoon 03/06

3 juin 2019, 14:00

Amphithéâtre Dirac (IPN Lyon)

Présidents de session

Afternoon 03/06

• henry chermette (ISA)

8. An introduction to density functional theory

Miguel Marques (Martin-Luther University of Halle-Wittenberg)

03/06/2019 14:00

This will be an introduction to density-functional theory, starting from the founding Hohenberg-Kohn and Kohn-Sham theorems to more advanced problems. In particular, we will discuss the history of the development of exchange-correlation functionals, and the availability of such functionals for the study of different physical systems.

9. Ensemble density-functional theory for excited states

M. Emmanuel Fromager (University of Strasbourg)

03/06/2019 14:50

I will discuss the basics and recent developments in the field of (time-independent) ensemble density-functional theory for neutral and charged electronic excited states.

10. Coffee

03/06/2019 15:40

11. Dynamics of electrons and nuclei in molecules: Beyond the Born-Oppenheimer approximation

Federica Agostini (Laboratoire de Chimie Physique, Université Paris-Sud)

03/06/2019 16:10

Excited-state dynamics is at the heart of Photophysics and Photochemistry. Nonadiabatic transitions are induced by the strong coupling between electronic dynamics and the ultrafast motion of the nuclei, and are observed in phenomena such as photosynthesis, photovoltaics, and exciton transport in π-conjugated complexes. An essential part of the research efforts in these fields is directed...

25. Density functional, from nuclei to neutron stars

Nicolas Baillot d'Etivaux (IPN Lyon)

03/06/2019 17:00

I will present a meta-modeling of the equation of state for the description of nuclear matter, and its application to neutron stars, where the density can reach several times the saturation density of atomic nuclei (the average density of nuclei). This equation of state is based on the extrapolation of our knowledge in nuclear physics around saturation density, towards high density, encoded in...