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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

Charlotte Vernozy, Antonino Alessi, Olivier Cavani, Audrey Courpron, Johan Petit, Valérie Véniard Online and in situ investigation of electron irradiation induced optical absorption in ZnGeP2 single crystals Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 566, 165758 (2025).
Jaakko Koskelo, Lucia Reining, Matteo Gatti Short-Range Excitonic Phenomena in Low-Density Metals Phys. Rev. Lett. 134, 046402 (2025).
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).
Volker Blum, Ryoji Asahi, Jochen Autschbach, Christoph Bannwarth, Gustav Bihlmayer, Stefan Blügel, Lori Burns, Daniel Crawford, William Dawson, Wibe de Jong, Claudia Draxl, Claudia Filippi, Luigi Genovese, Paolo Giannozzi, Niranjan Govind, Sharon Hammes-Schiffer, Jeff Hammond, Benjamin Hourahine, Anubhav Jain, Yosuke Kanai, Paul Kent, Ask Larsen, Susi Lehtola, Xiaosong Li, Roland Lindh, Satoshi Maeda, Nancy Makri, Jonathan Moussa, Takahito Nakajima, Jessica Nash, Micael Oliveira, Pansy Patel, Giovanni Pizzi, Geoffrey Pourtois, Benjamin Pritchard, Eran Rabani, Markus Reiher, Lucia Reining, Xinguo Ren, Mariana Rossi, Bernhard Schlegel, Nicola Seriani, Lyudmila Slipchenko V, Alexander Thom, Edward Valeev, Benoit Van Troeye, Lucas Visscher, Vojtěch Vlček, Hans-Joachim Werner, David Williams-Young, Theresa Windus Roadmap on methods and software for electronic structure based simulations in chemistry and materials Electronic Structure 6, 042501 (2024).
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News from the group

  • ► 3 June, 2025 Carsten is back
    Carsten Ullrich, from the University of Missouri, is visiting the group this June. A big welcome to him.
  • ► 2 June, 2025 Douma is back
    Douma comes from the Université Marien Ngouabi. He arrived for a short 3-months visit last winter. He is now back for a year. A big welcome.
  • ► 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. 
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