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Schools

7th School on Time-Dependent Density- Functional Theory: Prospects and Applications

September 11, 2016 to September 19, 2016
Location : CECAM-ES

Organisers

  • Alberto Castro (University of Zaragoza, Spain)
  • Angel Rubio (Max Planck Institute for the Structure and Dynamics of Matter, Germany)
  • E.K.U. Gross (Max Planck Institute of Microstructure Physics, Halle, Germany)
  • Fernando Nogueira (University of Coimbra, Portugal)
  • Neepa Maitra (Hunter College of the City University of New York , USA)

Supports

   CECAM

   Psi-k

   Cost

Description

Obviously, time-dependent density-functional theory (TDDFT) is the key topic of the School. However, the general problem of electronic excitations is covered at large, and TDDFT is presented in the context of a larger family of approaches, including many-body perturbation theory and quantum chemistry techniques. The relation of the various options will be analysed. The theoretical foundations will be covered, as well as the large list of possible applications: description of photo-absorption cross section of molecules and nanostructures, electron-ion dynamics in the excited state triggered by either a small or high intense laser fields, van der Waals interactions, development of new functionals coping with memory and non-locality effects, applications to biological systems (chromophores), transport phenomena, optical spectra of solids and low- dimensional structures (as nanotubes, polymers, surfaces...)

1. Introduction to "standard" ground-state DFT.
2. TDDFT: Fundamentals, and advanced topics.
3. Spectroscopy, from an experimentalist's perspective.
4. Introduction to Many-Body quantum physics.
5. GW
6. Bethe-Sapether.
7. Non-linear response within TDDFT.
8. Non-perturbative quantum dynamics.
9. Approaches to molecular electronics.
10. TDDFT from the Chemist's perspective.
11. Perspectives, standing problems.

In addition, we will reserve hours to Q&A discussions.