Exchange-Correlation Functionals of Density Functional Theory - QE School 2023 Lecture 1.3

Explore the intricacies of exchange-correlation functionals in Density Functional Theory (DFT) through this comprehensive lecture from the Advanced Quantum ESPRESSO school. Delve into the concepts of Hubbard and Koopmans functionals derived from linear response theory. Gain valuable insights into advanced computational methods for electronic structure calculations. Learn how these functionals improve the accuracy of DFT calculations for strongly correlated systems and address the self-interaction error. Discover the theoretical foundations and practical applications of these advanced techniques in materials science and condensed matter physics. Enhance your understanding of quantum mechanical simulations and their role in predicting material properties.

QE school 2023 - 1.3 Exchange-correlation functionals of DFT