A new poster on our work on real-time density polarization functional theory. In presence of a time-dependent macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic polarization P as key quantities. We show that a simple… Read More
My new talk for the GDR-Corr is available online. In this talk I will present our new (probably not so new now) approach to calculate non-linear response in extended systems within the GW plus Bethe-Salpeter equation. I put different references in the presentation that can be interesting for the reader.
We present an ab-initio real-time based computational approach to nonlinear optical properties in Condensed Matter systems. The equation of motions, and in particular the coupling of the electrons with the external electric field, are derived from the Berry phase formulation of the dynamical polarization. The zero-field Hamiltonian includes crystal local field effects and the renormalization… Read More