Theoretical Spectroscopy Group

L. M. Urquiza, Gatti, M., and Sottile, F., “Connections between resonant inelastic x-ray scattering and complementary x-ray spectroscopies: Probing excitons at the $\mathrmAl K \textand L_1$ edges of $\ensuremathα\text\ensuremath-\mathrmAl_2\mathrmO_3$”, Phys. Rev. B, vol. 109. American Physical Society, p. 115157, 2024.

F. Sottile, “Excitonic signatures in different spectroscopies”. UK- France Seed meeting, Quantum Effects in Energy Harvesting, Edinburg 2024, 2024.

A. El-Sahili, “From spectra to total energy: beyond the GW approximation designing effective interactions”, 2024.

L. Dalecky, Sottile, F., Hung, L., Cazals, L., Desolneux, A., Chevalier, A., Rueff, J. - P., and Bertrand, L., “Non-resonant inelastic X-ray scattering for discrimination of pigments”, Phys. Chem. Chem. Phys., vol. 26. The Royal Society of Chemistry, pp. 4363-4371, 2024.

F. Sottile, “Theoretical approaches for photovoltaics”. Space Photovoltaics for Energy Conversion in extra-terrestrial environment Workshop, 2024.

A. El-Sahili, Sottile, F., and Reining, L., “Total Energy beyond GW: Exact Results and Guidelines for Approximations”, Journal of Chemical Theory and Computation, vol. 20. pp. 1972-1987, 2024.

A. Aouina, Gatti, M., Chen, S., Zhang, S., and Reining, L., “Accurate Kohn-Sham auxiliary system from the ground-state density of solids”, Phys. Rev. B, vol. 107. American Physical Society, p. 195123, 2023.

S. Mazzei and Giorgetti, C., “Optical properties of quasi-two-dimensional objects from time dependent - density functional theory: longitudinal versus transverse dielectric functions”, Phys. Rev. B, vol. 107. p. 165412, 2023.

C. - P. Su, Ruotsalainen, K., Nicolaou, A., Gatti, M., and Gloter, A., “Plasmonic Properties of SrVO3 Bulk and Nanostructures”, Advanced Optical Materials, vol. 11. p. 2202415, 2023.

L. M. Urquiza, Gatti, M., and Sottile, F., “Pseudopotential Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures: Excitonic effects in Al2O3”, Phys. Rev. B, vol. 107. American Physical Society, p. 205148, 2023.

V. Gorelov, Reining, L., Lambrecht, W. R. L., and Gatti, M., “Robustness of electronic screening effects in electron spectroscopies: Example of V2O5”, Phys. Rev. B, vol. 107. American Physical Society, p. 075101, 2023.

F. Sottile, “Theoretical Spectroscopy via Green’s functions and Density Functional Theory”. Workshop on Spectroscopy and Machine Learning at Les Houches School of Physics, 2023.

F. Sottile, “X-ray absorption and resonant inelastic X-ray scattering: All-electron vs. pseudo-potential many-body approaches”. HoW exciting! 2023, 2023.

C. Vorwerk, Sottile, F., and Draxl, C., “All-electron many-body approach to resonant inelastic X-ray scattering”, Phys. Chem. Chem. Phys., vol. 24. The Royal Society of Chemistry, pp. 17439-17448, 2022.

M. Vanzini, Aouina, A., Panholzer, M., Gatti, M., and Reining, L., “Connector theory for reusing model results to determine materials properties”, npj Computational Materials, vol. 8, no. 1. p. 98, 2022.

V. Gorelov, Reining, L., Feneberg, M., Goldhahn, R., Schleife, A., Lambrecht, W. R. L., and Gatti, M., “Delocalization of dark and bright excitons in flat-band materials and the optical properties of V2O5”, npj Computational Materials, vol. 8. p. 94, 2022.

F. Sottile, “Electronic excitations via Inelastic X-ray Scattering: Green's functions approach”. International Conference on Inelastic X-ray Scattering (IXS2022), Oxford 2022, 2022.

F. Sottile, “Excitonic effects in spectra and beyond. A new look into Resonant Inelastic X-ray Scattering.”. ETSF Workshop, Leuven (Belgium), 2022.

A. Aouina, “A novel shortcut for computational materials design ”, Institut Polytechnique de Paris, Palaiseau, 2022.

S. Mazzei and Giorgetti, C., “Optical response of two-dimensional systems: Insights from classical electromagnetism to ab initio calculations”, Phys. Rev. B, vol. 106. p. 035431, 2022.

M. Gatti, “Theoretical spectroscopy: unravelling electronic correlations for materials design”, Il Nuovo Saggiatore, vol. 38. 2022.

K. Ruotsalainen, Nicolaou, A., Sahle, C. J., Efimenko, A., Ablett, J. M., Rueff, J. - P., Prabhakaran, D., and Gatti, M., “Dynamical screening in SrVO3: Inelastic x-ray scattering experiments and ab initio calculations”, Phys. Rev. B, vol. 103. American Physical Society, p. 235136, 2021.

G. Fugallo, Cudazzo, P., Gatti, M., and Sottile, F., “Exciton band structure of molybdenum disulfide: from monolayer to bulk”, Electronic Structure, vol. 3. IOP Publishing, p. 014005, 2021.

A. Lorin, Gatti, M., Reining, L., and Sottile, F., “First-principles study of excitons in optical spectra of silver chloride”, Phys. Rev. B, vol. 104. American Physical Society, p. 235149, 2021.

C. Elias, Fugallo, G., Valvin, P., L'Henoret, C., Li, J., Edgar, J. H., Sottile, F., Lazzeri, M., Ouerghi, A., Gil, B., and Cassabois, G., “Flat Bands and Giant Light-Matter Interaction in Hexagonal Boron Nitride”, Phys. Rev. Lett., vol. 127. American Physical Society, p. 137401, 2021.