Theoretical Spectroscopy Group

K. Ruotsalainen, Nicolaou, A., Sahle, C. J., Efimenko, A., Ablett, J. M., Rueff, J. - P., Prabhakaran, D., and Gatti, M., “Dynamical screening in $\mathrmSrVO_3$: 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.

F. Sottile, Reining, L., and Gatti, M., “The color photography of Edmond Becquerel and quantum mechanics”. Edmond Becquerel Symposium, Paris (France), 2020.

M. Vanzini, Sottile, F., Reshetnyak, I., Ciuchi, S., Reining, L., and Gatti, M., “Design of auxiliary systems for spectroscopy”, Faraday Discuss., vol. -. The Royal Society of Chemistry, p. -, 2020.

C. Vorwerk, Sottile, F., and Draxl, C., “Excitation pathways in resonant inelastic x-ray scattering of solids”, Phys. Rev. Research, vol. 2. American Physical Society, p. 042003, 2020.

J. Wetherell, Costamagna, A., Gatti, M., and Reining, L., “Insights into one-body density matrices using deep learning”, Faraday Discuss., vol. ??? The Royal Society of Chemistry, p. -, 2020.

A. Aouina, Gatti, M., and Reining, L., “Strategies to build functionals of the density, or functionals of Green’s functions: what can we learn?”, Faraday Discuss., vol. ??? The Royal Society of Chemistry, p. -, 2020.

J. Sky Zhou, Reining, L., Nicolaou, A., Bendounan, A., Ruotsalainen, K., Vanzini, M., Kas, J. J., Rehr, J. J., Muntwiler, M., Strocov, V. N., Sirotti, F., and Gatti, M., “Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy”, Proceedings of the National Academy of Sciences, vol. ??? National Academy of Sciences, 2020.

Z. Chen, Dong, J., Papalazarou, E., Marsi, M., Giorgetti, C., Zhang, Z., Tian, B., Rueff, J. - P., Taleb-Ibrahimi, A., and Perfetti, L., “Band Gap Renormalization, Carrier Multiplication, and Stark Broadening in Photoexcited Black Phosphorus”, Nano Lett., vol. 19. 2019.

H. Henck, Pierucci, D., Zribi, J., Bisti, F., Papalazarou, E., Girard, J. - C., Chaste, J., Bertran, F., Le Fèvre, P., Sirotti, F., Perfetti, L., Giorgetti, C., Shukla, A., Rault, J. E., and Ouerghi, A., “Evidence of direct electronic band gap in two-dimensional van der Waals indium selenide crystals”, Phys. Rev. Materials, vol. 3. 2019.

I. Reshetnyak, Gatti, M., Sottile, F., and Reining, L., “Excitons on a microscopic level: The mixed dynamic structure factor”, Phys. Rev. Research, vol. 1. American Physical Society, p. 032010, 2019.

N. Gauriot, Véniard, V., and Luppi, E., “Long-range corrected exchange-correlation kernels to describe excitons in second-harmonic generation”, The Journal of Chemical Physics, vol. 151. 2019.

S. M. Anderson, Mendoza, B. S., Fugallo, G., and Sottile, F., “Plasmon dispersion in graphite: A comparison of current ab initio methods”, Phys. Rev. B, vol. 100. American Physical Society, p. 045205, 2019.

M. Vanzini, “Auxiliary systems for observables: dynamical local connector approximation for electron addition and removal spectra”, Université Paris-Saclay, 2018.

J. Sky Zhou, Gatti, M., Kas, J. J., Rehr, J. J., and Reining, L., “Cumulant Green's function calculations of plasmon satellites in bulk sodium: Influence of screening and the crystal environment”, Phys. Rev. B, vol. 97. 2018.

A. Aouina, “Development of functionals for observables”, vol. Master. 2018.

M. J. Mohn, Hambach, R., Wachsmuth, P., Giorgetti, C., and Kaiser, U., “Dielectric properties of graphene/MoS2 heterostructures from ab initio calculations and electron energy-loss experiments”, Phys. Rev. B , vol. 97. 2018.

A. Seidu, Marini, A., and Gatti, M., “Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium”, Phys. Rev. B, vol. 97. American Physical Society, p. 125144, 2018.

F. Sottile, “ENIGME: ab initio study of AgCl”. IPANEMA: du laboratoire au Musee, Paris (France), 2018.

V. Balédent, Cerqueira, T. T. F., Sarmiento-Pérez, R., Shukla, A., Bellin, C., Marsi, M., Itié, J. - P., Gatti, M., Marques, M. A. L., Botti, S., and Rueff, J. - P., “High-pressure phases of $\mathrmVO_2$ from the combination of Raman scattering and ab initio structural search”, Phys. Rev. B, vol. 97. 2018.

F. Pressacco, Uhlíř, V., Gatti, M., Nicolaou, A., Bendounan, A., Arregi, J. Ander, Patel, S. K. K., Fullerton, E. E., Krizmancic, D., and Sirotti, F., “Laser induced phase transition in epitaxial FeRh layers studied by pump-probe valence band photoemission”, Structural Dynamics, vol. 5. p. 034501, 2018.

L. Prussel and Veniard, V., “Linear electro-optic effect in semiconductors: Ab initio description of the electronic contribution”, Phys. Rev. B, vol. 97. 2018.

M. Panholzer, Gatti, M., and Reining, L., “Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach”, Phys. Rev. Lett., vol. 120. American Physical Society, p. 166402, 2018.

A. Tararan, Di Sabatino, S., Gatti, M., Taniguchi, T., Watanabe, K., Reining, L., Tizei, L. H. G., Kociak, M., and Zobelli, A., “Optical gap and optically active intragap defects in cubic BN”, Phys. Rev. B, vol. 98. American Physical Society, p. 094106, 2018.

M. Labeye, Zapata, F., Coccia, E., Veniard, V., ‡ Toulouse, J., Caillat, J., Taïeb, R., and Luppi, E., “Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H_2^+”, J. Chem. Theory Comput., vol. 14. 2018.