DFT+U and DFT+U+V: How Does It Work? - Hands-on Tutorial

DFT+U and DFT+U+V: How Does It Work? - Hands-on Tutorial

Explore the intricacies of DFT+U and DFT+U+V methodologies in this comprehensive hands-on tutorial presented by Iurii Timrov and Matteo Cococcioni. Delve into the practical aspects of these advanced computational techniques as part of the Advanced Quantum ESPRESSO tutorial series focusing on Hubbard and Koopmans functionals from linear response. Over the course of 69 minutes, gain valuable insights into the inner workings of these methods and their applications in materials science and quantum chemistry. Enhance your understanding of density functional theory extensions and their implementation in Quantum ESPRESSO software through this in-depth, practical session.