Optical properties of extended systems within a current-current response formalism: tips and tricks

In this work we compare the optical absorption of extended systems calculated starting from the density-density and current-current linear response formalisms within the equilibrium many-body perturbation theory(MBPT). We show how, using the latter, one can incur in errors due to quasiparticle lifetimes, electron-hole interaction or the presence of a Drude tail. These errors are found… Read More

RPA calculations with Yambo for large systems

Performing RPA calculations with yambo in large systems can be a problem due to the memory requirement. In fact the code does not distribute the dielectric constant at the different frequencies among the processors. The solution is to run different calculations for each frequency of the dielectric constant and then joind the outputs. Here my… Read More

Théorie et Simulation Numérique at CINaM

At present I’m working in the TSN group   “Théorie et Simulation Numérique”  (Theory and numerical Simulations) at CINaM. If you want to know what people do in this group, have a look to this short presentation on our research activity. Contact us for possibility of master, PhD or post-doc positions.

Many-body perturbation theory for electronic and optical properties of organic systems

My new talk on Many-Body Perturbation Theory (MBPT) in chemistry is online. If you want to know what MBPT can do in finite systems have a look to this talk. There is an historical introduction and then I discuss different approximations as GW, BSE and present applications in organic chemistry. More recent progresses are presented… Read More

My thesis for the Habilitation à Diriger des Recherches

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

New poster on real-time DPFT

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

Post-doctoral position : “Optical properties of 2D materials”( within the framework of the E.U. Graphene flagship)

A 18 month post-doctoral position is available, from September 1st 2016, at the “Laboratoire d’Etude des Microstructures” (http:// http://lem.onera.fr/) in strong collaboration with the “Centre Interdisciplinaire de Nanoscience de Marseille” (http://www.cinam.univ-mrs.fr/), as part of the European Union Graphene Flagship project (http://graphene-flagship.eu/). Since graphene takeoff in the 2000’s, the field of two-dimensional systems has been gradually… Read More

Marseille Condensed Matter 2016: Optics and Magnetism

We are organizing the first “Marseille Condensed Matter Workshop” on Optical and Magnetic properties of complex materials from the 12th to the 14th September at CINaM (Marseille). The aim of the workshop is to bring together researchers working on different research communities to promote exchange and share research experiences. More info can be found there:… Read More

Density Functional Polarization Theory

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