Monday 20th March 2023 – INRIA : Antoine Levitt (Université Paris Saclay)

Title: Dynamical response properties of molecules and solids

Abstract: I will give an introduction to electronic structure computation, with the goal of obtaining the dynamical properties of some molecules and solids (absorption spectrum, resonances, etc.). I will be interested by the numerical approximation of these quantities, with a special focus on their computation in a bounded domain that restraints natural wave propagation. I will then present a new method to compute Green functions in periodic media, based on a complex deformation in the Brillouin zone.

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