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Explore dynamical extensions of DFT+U in this advanced lecture from the Quantum ESPRESSO school. Delve into Hubbard and Koopmans functionals from linear response, examining the limitations of DFT and the complexities of spectral properties. Investigate Green's functions for spectra and thermodynamics, and learn about the sum over poles (SOP) approach for dynamical potentials. Compare non-interacting and interacting systems, and discover algorithmic inversion methods for solving the Dyson equation. Gain insights into spectra and thermodynamics of materials through the dynamical Hubbard functional, enhancing your understanding of advanced quantum mechanics and materials science.
Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3