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Study mode:
on
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
Description:
Save Big on Coursera Plus. 7,000+ courses at $160 off. Limited Time Only! Grab it 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

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