This year I was invited to give two lectures at the school on “Theoretical Spectroscopy” organized by F. Sottile, V. Olevano and G. Rignanese. I will present two lectures on “Non-linear approaches to TDDFT :: non perturbative real-time” and “Bethe-Salpeter Equation in real time” and a tutorial on the Lumen code. All the lectures are… Read More
In this work we combine tight-binding calculations of the two-photon transition probability with sophisticated ab-initio real-time Bethe-Salpeter simulations of the two-photon resonance third-order susceptibility. This combination is a unique feature of this work: on the one hand the tight-binding calculations allow us to identify the symmetry properties of the excitons, on the other hand the… Read More
Here my new two talks at the 2017 ETSF conference in Franscati. The first on Scientific Publishing and the SciPost journal where I will discuss the actual situation of the scientific publishing system and how new green open access journal, like SciPost, could change it. The second talk on the Lumen code, an ab-initio code… Read More
The first draft of my thesis for the accreditation to direct research (Habilitation à Diriger des Recherches) is available online. The thesis covers my studies of the non-linear response in solids and nanostructures by means of real-time simulations. In the thesis I discuss how to couple electrons and external fields by means of Modern Theory… Read More
We present a new paper on Density Functional Polarization Theory (DFPT). This theory is an extension of Time-Dependent-DFT where the exchange correlation functional depends not only from the density but also from the polarization P. Thanks to this explicit dependence on P it is possible solve different problems of TD-DFT in periodic systems with a… 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 published a new paper on the second harmonic generation(SHG) in two-dimensional hexagonal crystals SiC, ZnO and GaN. The SHG is calculated within the so called GW plus Bethe-Salpter formalism, using a real-time implementation proposed by some of us. We found that these system present a large region with a strong SHG before the absorption… 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