Density Functional Theory: Foundations and Applications

This lecture covers the theoretical foundations and practical applications of Density Functional Theory (DFT). Starting with the Hohenberg-Kohn theorems, it explains how DFT provides an alternative approach to solving the electronic Schrodinger equation by focusing on the electron density. The lecture discusses the popularity of DFT due to its computational efficiency and accuracy in predicting various chemical properties. It also delves into the functionals and functional derivatives used in DFT calculations, along with the Thomas-Fermi model and the challenges in expressing the kinetic energy as a functional of the density. The presentation concludes with a quiz on total energy expressions and the limitations of DFT methods.