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Reunión de Usuarios y Desarrolladores de Métodos de Simulación de Aragón

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

Prof. Alberto Castro, ARAID Foundation
Prof. Hardy Gross, Max Planck Institute of MIcrostructure Physics, Halle, Germany
Prof. Angel Rubio, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany

DATE OF EVENT : 11/09/2016       DURATION : 8 day(s)

LOCATION : Centro de Ciencias de Benasque "Pedro Pascual", Benasque (Huesca)
URL : http://www.cecam.org/workshop-1276.html


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...)