A time-dependent density functional theory approach for the excited state dynamics of nanostructures and biomolecules

COFFEE_KLATCH · Invited

Abstract

We will review the recent implementations of TDDFT to study the optical absoprtion of biological chromophores, one-dimensional polymers and layered materials. In particular we will show the effect of electron-hole attraction in those systems. We will folow two routes: one based on solving the Bethe-Salpeter equation and the other on an orbital-dependent OEP method on top of the GW approximation for the self-energy. Virtues and deficiencies of both methods will be illustrated.

Authors

  • Rubio Angel

    Universita Pais Vasco, Dpto. Fisica de Materiales, Facultad de Quimicas, U. Pais Vasco, San Sebastian and European Theoretical Sepctroscopy Facility (ETSF)