The Theoretical Spectroscopy lectures focus on valence electron excitations. Electronic excitations are probed by experimental techniques such as optical absorption, EELS and photo-emission (direct or inverse). From the theory point of view, excitations and excited state properties are out of the reach of density-functional theory (DFT), which is a ground-state theory. In the last twenty years other ab-initio theories and frameworks, which are able to describe electronic excitations and spectroscopy, have become more and more used: time-dependent density-functional theory (TDDFT) and many-body perturbation theory (MBPT) or Green's function theory (GW approximation and Bethe-Salpeter equation BSE). In fact, computational solutions and codes have been developed in order to implement these theories and to provide tools to calculate excited state properties. During the school we will cover theoretical, practical, and also numerical aspects of TDDFT and MBPT, and codes implementing them (ABINIT, DP, EXC).
Location: Ecole Polytechnique, Bat. 411
Date: 26-28 May 2014
Organiser: F.Sottile
Lecturers: V. Veniard, F.Sottile, L.Reining, M.Gatti
Plan of Lectures
Day 1 - Monday
- Introduction to Spectroscopy (F.Sottile)
- Microscopic-Macroscopic connection (V.Veniard)
- Time Dependent DFT (F.Sottile)
- TDDFT with DP (F.Sottile, V.Veniard, M.Gatti)
Day 2 - Tuesday
- Introduction to Green's Function Theory (L.Reining)
- The GW approximation (M.Gatti)
- GW with Abinit (M.Gatti, F.Sottile)
Day 3 - Wednesday
- The Bethe-Salpeter Equation (F.Sottile)
- BSE with EXC (F.Sottile, M.Gatti)