I’m one of the organizer of the workshop “Gutzwiller wave functions and related methods” that will be held in Valance (France) from June 16th to June 19th. Here the French announcement, and conference web-page.
We just published a new review on GW and Bethe-Salpeter (BSE) for molecules. In the review we discuss electronic excitations both in TDDFT and in the Green’s function approach. The successes and failures of the different methods are presented. In particular we focused on charge-transfer excitations for which the photoexcited electron and the hole left… Read More
Together with Myrta Gruning we just submitted a new paper on second harmonic generation(SHG) in two-dimensional materials, h-BN and MoS2. We calculated the SHG using a real-time approach that we recently developed. We included both local field effects and electron-hole interaction at the level of screened exchange , without any additional approximation. Our approch is… Read More
Sometime ago I discovered povray, a ray tracing program which generates stunning three-dimensional graphics. I used it to draw nanostructures and in particular nanotubes in different configurations, hereafter the plots and the corresponding scripts: From left to right: 1) illuminated nanotube, STM_tips.pov 2) gated nanotube, gated_tube.pov 3) nanotube and STM tip, light_tube.pov
I published my first “Nature”, even if the lower level one, a Nature Scientific Reports: Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible Claudio Attaccalite, Ludger Wirtz, Andrea Marini & Angel Rubio Scientific Reports 3, Article number:2698 Boron nitride is a promising material for nanotechnology applications due to… Read More
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
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