Theoretical Spectroscopy Group

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.

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.

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.

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.

F. Sottile, Reining, L., Gatti, M., and Lorin, A., “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.

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.

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.

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.

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. Vanzini, Reining, L., and Gatti, M., “Spectroscopy of the Hubbard dimer: the spectral potential”, The European Physical Journal B, vol. 91. p. 192, 2018.

C. Rödl, Ruotsalainen, K. O., Sottile, F., Honkanen, A. - P., Ablett, J. M., Rueff, J. - P., Sirotti, F., Verbeni, R., Al-Zein, A., Reining, L., and Huotari, S., “Low-energy electronic excitations and band-gap renormalization in CuO”, Phys. Rev. B, vol. 95. American Physical Society, p. 195142, 2017.

W. Tarantino, Romaniello, P., Berger, J. A., and Reining, L., “Self-consistent Dyson equation and self-energy functionals: An analysis and illustration on the example of the Hubbard atom”, Phys. Rev. B, vol. 96. American Physical Society, p. 045124, 2017.

A. A. Shukri, Bruneval, F., and Reining, L., “Ab initio electronic stopping power of protons in bulk materials”, PHYSICAL REVIEW B, vol. 93. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 035128, 2016.

P. Cudazzo, Sponza, L., Giorgetti, C., Reining, L., Sottile, F., and Gatti, M., “Exciton Band Structure in Two-Dimensional Materials”, Phys. Rev. Lett., vol. 116. American Physical Society, p. 066803, 2016.

L. Reining, “Linear Response and More: the Bethe-Salpeter Equation”, in Quantum Materials: Experiments and Theory: Modeling and Simulation Vol. 6, E. Pavarini, Koch, E., van den Brink, J., and Sawatzky, G., Eds. Forschungszentrum Jülich, 2016.

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.

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.

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.