Learning

Advanced Density Functional Theory: Functionals and Corrections

Hohenberg-Kohn Theorems → Empirical Dispersion Corrections (DFT-D)

This learning path guides students specializing in DFT through the hierarchy of exchange-correlation functionals, from local and semi-local approximations to hybrid and double-hybrid methods, including range-separated and van der Waals corrections. It builds a systematic understanding of Jacob's ladder and the theoretical foundations necessary for selecting and applying advanced functionals in computational chemistry.