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Mini-workshop on "Mathematical and numerical challenges in quantum chemistry"
Organizers: Claude Le Bris (Paris, France) & Christian Lubich (Tuebingen, Germany)

 

Eric Cancès (Paris, France): "Electronic structure calculations for solids"
Monday 24 June 2013, 09:30 - 10:10
Amphi Darboux

 

Electronic structure calculation has become a generic tool in solid state physics, condensed matter physics and materials science. In this talk, I will describe the mathematical structure of the most commonly used electronic structure models for simulating perfect crystals, crystals with defects, and disordered materials. I will present some recent advances in the mathematical and numerical analysis of these models and point out open issues.

 

 

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