Paolo E. Trevisanutto

Optical Spectra of Solids Obtained by Time-Dependent Density-Functional Theory with the Jellium-with-Gap-Model Exchange-Correlation Kernel

Within the framework of ab initio Time Dependent-Density Functional Theory (TD-DFT), we propose a static approximation to the exchange-correlation kernel based on the jellium-with-gap model. This kernel accounts for electron-hole interactions and it is able to address both strongly bound excitons and weak excitonic effects. TD-DFT absorption spectra of several bulk materials (both semiconductor and insulators) are reproduced in very good agreement with the experiments and with a low computational cost. The theoretical description of the optical properties of materials by first principles calculations is one of the classical issues in solid state physics. After photon absorption, the excitonic effects, driven by the electron and hole (e-h) interactions, are principal actors, rendering the ab initio computational description demanding. The most successful approach is, so far, based on ManyBody Perturbation theory: the GW self energy accounts for electron-electron (e-e) many-body effects in the band structure calculations, whereas the Bethe-Salpeter Equation is solved to introduce e-h interactions [1]. This accu

Optical conductivity renormalization of graphene onSrTiO3due to resonant excitonic effects mediated by Ti3dorbitals

We present evidence of a drastic renormalization of the optical conductivity of graphene on SrTiO

Generalized Gradient Approximation Correlation Energy Functionals Based on the Uniform Electron Gas with Gap Model.

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Tunable and low-loss correlated plasmons in Mott-like insulating oxides

resulting in almost full transparency in the ultraviolet region. These findings are attributed to resonant excitonic effects further supported by \emph{ab initio} Bethe-Salpeter equation and density functional theory calculations. The (

Hedin equations in resonant micro-cavities

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Phosphorene oxides: Bandgap engineering of phosphorene by oxidation

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Laser control of desorption through selective surface excitation

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Effect of protons on the optical properties of oxide nanostructures

*)-orbitals of graphene and Ti-3\textit{d}

Site-specific laser modification of MgO nanoclusters: Towards atomic-scale surface structuring

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Energy and Site Selectivity in O-Atom Photodesorption from Nanostructured MgO

orbitals of SrTiO