Fritz Haber Institute of the Max Planck Society

Theoretical Spectroscopy

Group leader: Prof. Dr. Angel Rubio

Group Members

Mission and Research Topics

The activity of the Group is focused on the field of theory and modeling of the electronic response of solids, surfaces, nanostructures and biomolecules to external electromagnetic fields. Research activities spans six main lines:

  • Fundamental aspects of Time-Dependent Density Functional Theory and Many-Body Perturbation Theory (in connection with the Many Body Electronic Structure Theory group)
  • Theoretical Spectroscopy: developing novel theoretical tools and computational codes to investigate photoemission, time-resolved, optical and magnetic spectroscopies, optics, EELS, (N)EXAFS, Raman, IR, etc.
  • Nanostructures and biomolecules; in particular nanotubes, nanowires, clusters and biochromophores. QM/MM approaches. (integrated with the group Physics of Biomolecules)
  • Hybrid materials: e.g. photovoltaic applications
  • Molecular electronics; addressing time-dependent as well as stationary phenomena, non equilibrium and electron and electron-phonon correlation effects.
  • Code development (on of the main developers of the TDDFT code octopus among others)







Page last modified on September 17, 2015, at 02:26 PM CET