Theoretical Spectroscopy Lectures Theory and Codes- Bat 411, 26-28 May 2014

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).

Organiser: F.Sottile
Lecturers: V. Veniard, F.Sottile, L.Reining, M.Gatti

Plan of Lectures

Day 1 - Monday

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