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Spectra and thermodynamics of materi
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Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3
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- 1 Intro
- 2 The fundamental limitation of DFT
- 3 A much richer reality
- 4 Spectral properties are an 'open' proble
- 5 From static potentials to dynamical self-ener
- 6 Green's functions for spectra and thermody
- 7 Electronic structure landscape
- 8 The grand plan
- 9 Sum over poles (SOP) for dynamical poter
- 10 Non-interacting vs interacting system
- 11 What happens if we forget non-linearit
- 12 Algorithmic inversion method
- 13 Solving the Dyson equation exactly with
- 14 Numerical vs analytic solution
- 15 Spectra and thermodynamics of materi
- 16 Dynamical Hubbard functional
- 17 Conclusions
