Numerical Methods for Scattering and Resonance Properties in Molecules and Solids

Explore a 40-minute conference talk on numerical methods for scattering and resonance properties in molecules and solids, presented by Antoine Levitt from the Institut National de Recherche en Informatique Automatique. Delve into the challenges of discretizing continuum states in electronic structure, including scattering problems, photo-ionization cross-sections, and resonances. Discover recent mathematical insights and efficient numerical methods for computing these properties, developed in collaboration with other researchers. Gain understanding of the techniques used to represent extended states using finite computational domains. Examine practical applications of these methods in condensed matter physics and chemistry, showcasing their relevance in real-world scenarios. This talk, part of IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop, offers valuable insights for researchers and practitioners in computational physics and chemistry.