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Theoretical Spectroscopy Group

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The theoretical spectroscopy group is part of the Laboratoire de Solides Irradies, at the Ecole Polytechnique.

The theoretical spectroscopy group develops theoretical and numerical approaches for the calculation of electronic properties, in particular many-body effects in electronic spectra. The research profile of the group was defined in 2000; it is centered on the theoretical description of electronic excitations from first principles. The global aim is to design techniques which can be applied to a wide range of systems, from small clusters to bulk materials, from metals to insulators. These developments comprise a part of fundamental theory, the design of approximations, the implementation of the new theory in ab initio computer codes, testing and benchmarking of the results, and applications to interesting materials. Applications often combine fundamental questions and technological interest, examples being materials for data storage, for solar energy production or optoelectronics. 

 

New papers

Newman Amoyaw, Abezu Agegnehu, Francesco Sottile, Matteo Gatti, Laura Urquiza Al $K$-edge XANES of octahedral aluminum compounds: Similarities and differences via the analysis of excitonic properties Phys. Rev. B 111, 165112 (2025).
Laura Urquiza, Matteo Gatti, Francesco Sottile Connections between resonant inelastic x-ray scattering and complementary x-ray spectroscopies: Probing excitons at the Al K $L_1$ edges of $α-Al_2O_3$ Phys. Rev. B 109, 115157 (2024).
Lauren Dalecky, Francesco Sottile, Linda Hung, Laure Cazals, Agnès Desolneux, Aurelia Chevalier, Jean-Pascal Rueff, Loic Bertrand Non-resonant inelastic X-ray scattering for discrimination of pigments Phys. Chem. Chem. Phys. 26, 4363-4371 (2024).
Abdallah El-Sahili, Francesco Sottile, Lucia Reining Total Energy beyond GW: Exact Results and Guidelines for Approximations Journal of Chemical Theory and Computation 20, 1972-1987 (2024).
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News from the group

  • ► 15 March, 2025 New Master Student :: Elena Martini
    Elena has worked with Lucia and Marc, during her PRL (Projet de Recherche en Laboratoire) and has now started her master internship. 
  • ► 4 March, 2025 New visiting Student :: Jannis
    A big welcome to Jannis Kockläuener, from Dresden (group of Dorothea Golze), who is visiting our group for 5 weeks. 
  • ► 17 February, 2025 New visiting student :: Caja
    Big welcome to Caja Annweiler, who is visiting the group. She is at the moment a PhD student in the group of Claudia Draxl in Berlin. 
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