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Schools

Theoretical Spectroscopy Lectures: Theory and Codes

May 25, 2009 to May 29, 2009
Location : CECAM-ETHZ, Zurich, Switzerland

Organisers

  • Francesco Sottile (Ecole Polytechnique, Palaiseau, France)
  • Xavier Gonze (Catholic University of Louvain, Belgium)
  • Gian-Marco Rignanese (Université Catholique de Louvain, Belgium)
  • Valerio Olevano (CNRS Institut Neel, Grenoble, France)

Supports

   CECAM

   Intelbiomat

European theoretical Spectroscopy Facility

Description

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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.The present school focuses on these points, covering theoretical, practical, and also numerical aspects of TDDFT and MBPT, and codes implementing them (ABINIT, DP, EXC).

References

[1] R. M. Martin Electronic structure : Basic Theory and Practical Methods, Cambridge University Press (2004)

[2] F. Aryasetiawan and O. Gunnarsson The GW method, Rep. Prog. Phys. 61 237 (1998)

[3] G.Onida, L. Reining and A. Rubio. Electronic excitations: density-functional versus many-body Green's function approaches, Rev. Mod. Phys. 74 601 (2002)

[4] Strinati, Riv. Nuovo Cim. 11, 1 (1988)