Covers the precursors of Kohn-Sham Density Functional Theory (DFT) and the Kohn-Sham formulation, explaining types of Exc[p] approximations and the performance of LDA.
Covers the basics of Density Functional Theory, challenges in DFT, and improvements in functional approximations and corrections for accurate calculations.
Explores modeling multilayer 2D materials, tight-binding models, and electrical conductivity in materials, emphasizing the importance of symmetries and reduced models.
Delves into troubleshooting errors and pitfalls in electronic structure methods, emphasizing the importance of integration grids and functional choices.
