University of Luxembourg - 1-4 October 2013

The annual ETSF Workshop series has developed into an invaluable reference point for the theoretical spectroscopy community. Under the auspices of the European Theoretical Spectroscopy Facility (ETSF) (ETSF) it provides a forum for excited states and spectroscopy in condensed matter physics, chemistry, nanoscience, materials science and molecular physics attracting theoreticians, code developers and experimentalists alike.

Spectroscopy of materials involves the interaction with particles or radiation that brings the system into an excited state. While the ground state, even of very large systems, can usually be well described by density-functional theory (DFT), the calculation of excited states is considerably more involved. Three methods are now well established for excited state calculations:

  • Time-dependent density-functional theory (TDDFT).
  • Many-body perturbation theory (MBPT), in particular the "GW-approximation" and the "Bethe-Salpeter Equation".
  • Quantum chemistry methods (using an embedding scheme to mimick the remaining part of the crystal or molecule).

These methods have now emerged as the standard for the description of spectroscopy in solids and molecules: e.g., optical absorption, electron-energy loss, angular resolved photoemission, core-hole spectroscopy, luminescence spectroscopy, etc.

The 2013 edition of the ETSF workshop aims at advancing the field of functional materials by bringing together researchers from theoretical development, practical calculations and experiment in order to assess the state-of-the art, discuss recent advances and to address necessary improvements.

Focus sessions:

  • Spectroscopy of nanomaterials (nanotubes, nanowires, nanocrystals, bio-molecules)
  • Multi-ferroic materials (in particular photo-ferroelectrics)
  • Spectroscopy of photovoltaic materials
  • Performance of novel xc-functionals for electronic excitations
  • Electron-phonon coupling
  • Spectroscopy of defects