Found 574 results
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.
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.
2021
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.
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 La1-xSrxVO3 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.
S. Rani, Theoretical Description of Non-linear Processes in Magnetic Materials, Institut Polytechnique de Paris, Palaiseau, 2021.

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