A tutorial introduction to density functional theory for bulk solids and surfaces

Density functional theory (DFT) is among the state-of-the-art first-principles methods available to treat the ground-state properties of bulk solids and surfaces. A large body of calculations now exist which establishes the ability of DFT to accurately predict quantities such as structural parameters and energy differences to within a few percent of experiment. In this talk, I will present an overview of the underlying ideas behind DFT, the approximations which are typically made in the context of periodic bulk systems, and the limitations to DFT that these various approximations impose. A tutorial on Kohn-Sham density functional theory (KS-DFT) will be given, highlighting the basic steps involved in a practical calculation. Finally, I will introduce some of our current work in the development of hybrid DFT and ab initio quantum chemistry techniques, to accurately study strongly correlated impurities embedded in bulk systems.