The Rhône-Alpes ETSF Associated Node conducts basic research in Condensed Matter Theoretical Physics from both an Ab Initio and also a Semiempirical point of view.
The global aim is to develop the Theory, the Algorithms and the Codes and to use them for Numerical Calculations on Real Systems and comparison with the Experiment.
We study both ground-state structural properties (crystallography, atomic structure, phase diagrams) and also excited-state spectroscopy properties (electronic structure, optical, X-ray and dielectric spectroscopy, photochemistry, conductivity and superconductivity).
The systems range from bulk materials to surfaces, molecules, atoms and nanostructures, composed of metal and insulator elements. At the mesoscopic and also the nanoscopic level.
The methodology relies on the Tight Binding approach, Configuration Interaction (CI), Quantum Monte Carlo (QMC), Density-Functional Theory (DFT), Time-Dependent Density-Functional Theory (TDDFT) and ab-initio Many-Body Quantum Field Theory, ab-initio molecular dynamics.