[00228] Density functional theory for two dimensional homogeneous materials
Session Time & Room : 5B (Aug.25, 10:40-12:20) @G502
Type : Contributed Talk
Abstract : We study Density Functional Theory models for 2D materials. We first show that a homogeneous material can be seen as a limit of crystals. Next, we derive reduced models in the orthogonal direction. We show how the different terms of the energy are modified and prove some properties of the ground state.
In Kohn-Sham models, we prove that the Pauli principle is replaced by a penalization term in
the energy.
