Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3

Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3

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Intro

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1 of 17

Intro

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Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3

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

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