Electronic Structure

The Electronic Structure course provides a thorough knowledge of the theoretical and computational modeling of basic properties of solids and nanostructures, based on their electronic structure. In particular, it focuses on state-of-the-art methods for the first-principles numerical evaluation of the electronic, structural, and spectroscopic properties of crystals as well as of nanometer-sized systems, molecules, and interfaces.

The student is expected to: 1) learn the most diffuse methods for the state-of-the art research in electronic structure of materials, based on density functional theory (DFT). 2) learn the main numerical and practical issues related to such methods. 3) learn the field of applications, and possible extensions that could bypass the limitations. 4) learn how to handle aperiodic systems such as interfaces, defects, molecules, and other
nanometer-sized systems with methods developed for solid crystals. 5) learn some examples of evaluation by DFT of quantities that constitute important parameters for the development of more advanced theories, where the electron-electron correlation is more important. 6) become capable to compute the electronic band structure of solid crystals, as well as of related properties, by using DFT.