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math-ph2026
Kohn-Sham models for encapsulated two-dimensional materials
Ãric Cancès, David Gontier, Solal Perrin-Roussel
We study Kohn-Sham Density Functional Theory (DFT) models describing the electronic structure of two-dimensional materials placed in a three-dimensional environment, encapsulated b…
math-ph2024
A mathematical analysis of IPT-DMFT
Ãric Cancès, Alfred Kirsch, Solal Perrin-Roussel
We provide a mathematical analysis of the Dynamical Mean-Field Theory, a celebrated representative of a class of approximations in quantum mechanics known as embedding methods. We…