Theoretical Spectroscopy Group

S. Di Sabatino, Berger, J. A., Reining, L., and Romaniello, P., “Photoemission spectra from reduced density matrices: The band gap in strongly correlated systems”, Phys. Rev. B, vol. 94. American Physical Society, p. 155141, 2016.

V. G. Sala, Dal Conte, S., Miller, T. A., Viola, D., Luppi, E., Veniard, V., Cerullo, G., and Wall, S., “Resonant optical control of the structural distortions that drive ultrafast demagnetization in Cr_2O_3”, Phys. Rev. B, vol. 94. p. 014430, 2016.

E. Luppi and Veniard, V., “A review of recent theoretical studies in nonlinear crystals: towards the design of new materials”, Semiconductor Science and Technology, vol. 31. p. 123002, 2016.

S. Rigamonti, Botti, S., Veniard, V., Draxl, C., Reining, L., and Sottile, F., “Rigamonti et al. Reply:”, Phys. Rev. Lett., vol. 117. American Physical Society, p. 159702, 2016.

F. Sottile, “Signatures of correlation: from excitons to satellites”. Workshop on Next Generation Quantum Materials, Sao Paulo (Brasil), 2016.

F. Pressacco, Uhlίř, V., Gatti, M., Bendounan, A., Fullerton, E. E., and Sirotti, F., “Stable room-temperature ferromagnetic phase at the FeRh(100) surface”, Scientific Reports, vol. 6. The Author(s), p. 22383 - , 2016.

J. S. Zhou, “Theory of electron spectroscopy beyond the state-of-the-art. An improved description of fermion-plasmon coupling in Green's function calculations”, Ecole Polytechnique, 2016.

A. Stan, “On the unphysical solutions of the Kadanoff-Baym equations in linear response: Correlation-induced homogeneous density-distribution and attractors”, Phys. Rev. B, vol. 93. American Physical Society, p. 041103, 2016.

F. Sottile, “Ab initio description of exction dispersion”. Total Energy 2015, Trieste, Italy, 2015.

N. Tancogne-Dejean, “Ab initio description of second-harmonic generation from crystal surfaces”, Ecole Polytechnique, 2015.

A. A. Shukri, “Ab initio electronic stopping power in materials”, Ecole Polytechnique, 2015.

N. Tancogne-Dejean and Veniard, V., “Ab initio local field effects for surface second-harmonic generation”. DPG Sping Meeting, 2015.

I. Reshetnyak, “Computing optical properties and photo-emission spectra : a new starting point”, Ecole Polytechnique, 2015.

J. S. Zhou, Kas, J. J., Sponza, L., Reshetnyak, I., Guzzo, M., Giorgetti, C., Gatti, M., Sottile, F., Rehr, J. J., and Reining, L., “Dynamical effects in electron spectroscopy”, The Journal of Chemical Physics, vol. 143. p. 184109, 2015.

M. Gatti, Panaccione, G., and Reining, L., “Effects of Low-Energy Excitations on Spectral Properties at Higher Binding Energy: The Metal-Insulator Transition of ${\mathrm{VO}}_{2}$”, Phys. Rev. Lett., vol. 114. American Physical Society, p. 116402, 2015.

M. Gatti, Sottile, F., and Reining, L., “Electron-hole interactions in correlated electron materials: Optical properties of vanadium dioxide from first principles”, Phys. Rev. B, vol. 91. American Physical Society, p. 195137, 2015.

S. Rigamonti, Botti, S., Veniard, V., Draxl, C., Reining, L., and Sottile, F., “Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme”, Phys. Rev. Lett., vol. 114. American Physical Society, p. 146402, 2015.

F. Sottile, “Exciton disperion from First-principles.”. Psi-k General Conference, San Sebastian, Spain, 2015.

P. Cudazzo, Sottile, F., Rubio, A., and Gatti, M., “Exciton dispersion in molecular solids”, Journal of Physics: Condensed Matter, vol. 27. p. 113204, 2015.

G. Fugallo, Aramini, M., Koskelo, J., Watanabe, K., Taniguchi, T., Hakala, M., Huotari, S., Gatti, M., and Sottile, F., “Exciton energy-momentum map of hexagonal boron nitride”, Phys. Rev. B, vol. 92. American Physical Society, p. 165122, 2015.

T. Khotiaintseva, “Excitonic Effects in Magnesium Oxide: ab initio study”. University Paris-Sud XI, Orsay, 2015.

A. Nicolaou, Gatti, M., Magnano, E., Le Fèvre, P., Bondino, F., Bertran, F., Tejeda, A., Sauvage-Simkin, M., Vlad, A., Garreau, Y., Coati, A., Guérin, N., Parmigiani, F., and Taleb-Ibrahimi, A., “Fermi surface symmetry and evolution of the electronic structure across the paramagnetic-helimagnetic transition in MnSi/Si(111)”, Phys. Rev. B, vol. 92. American Physical Society, p. 081110, 2015.

N. Tancogne-Dejean, Giorgetti, C., and Veniard, V., “Local field effects for optical linear and nonlinear properties of surfaces”. 2015.

N. Tancogne-Dejean, Giorgetti, C., and Veniard, V., “Optical properties of surfaces with supercell ab initio calculations: Local-field effects”, Phys. Rev. B, vol. 92. 2015.

F. Sottile, “Preliminaries for the BSE: micro-macro connection”. nternational summer School in electronic structure Theory: electron correlation in Physics and Chemistry, Aussois (France), 2015.