Category Archives: publications

Nonlinear optics by means of the dynamical Berry-phase

We present an ab-initio real-time based computational approach to nonlinear optical properties in Condensed Matter systems[1]. 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.[2] The zero-field Hamiltonian includes crystal local field effects and the renormalization… Read More

Optical excitations in a paradigmatic model dipeptide

We just post on arxiv a new paper on the optical excitations in a paradigmatic model dipeptide, here in the figure. We studied local and charge transfer excitations by means of state of the art GW and Bethe-Salpeter equations as implemented in the FIESTA code. In particular we focused on the effect of self-consistency in… Read More