Found 571 results
2023
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. n/a. 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 $\ensuremathα\ensuremath-\mathrmAl_2\mathrmO_3$, Phys. Rev. B, vol. 107, p. 205148, 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 $\ensuremathα\ensuremath-\mathrmAl_2\mathrmO_3$, 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, X-ray absorption and resonant inelastic X-ray scattering: All-electron vs. iopseudo-potential many-body approaches. 2023.
2021
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.
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.
R. Sinha-Roy, López-Lozano, X., Whetten, R. L., and Weissker, H. - C., Optical properties of Ag$_29$(BDT)$_12$(TPP)$_4$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics, Theoretical Chemistry Accounts, vol. 140. p. 91, 2021.
K. Ruotsalainen, Gatti, M., Ablett, J. M., Yakhou-Harris, F., Rueff, J. - P., David, A., Prellier, W., and Nicolaou, A., Resonant inelastic x-ray scattering study of doping and temperature dependence of low-energy excitations in $\mathrmLa_1\ensuremath-x\mathrmSr_x\mathrmVO_3$ thin films, Phys. Rev. B, vol. 103. American Physical Society, p. 235158, 2021.
S. Mazzei, Second Harmonic Generation from silicon surfaces functionalized with DNA nucleobases: an ab initio description, 2021.
F. Pressacco, Sangalli, D., Uhlíř, V., Kutnyakhov, D., Arregi, J. Ander, Agustsson, S. Ymir, Brenner, G., Redlin, H., Heber, M., Vasilyev, D., Demsar, J., Schönhense, G., Gatti, M., Marini, A., Wurth, W., and Sirotti, F., Subpicosecond metamagnetic phase transition in FeRh driven by non-equilibrium electron dynamics, Nature communications, vol. 12, no. 1. p. 5088, 2021.

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