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1
Introduction
2
Mass construction
3
Screening coefficients
4
Technical details
5
Similar ideas
6
GW100
7
Large molecules
8
Matrix element
9
Spectra
10
Photon energy
11
Extended systems
12
Study band gaps
13
Why
14
Local orbital dependent functions
15
Equipments theorem
16
Particle approximation
17
Potentials
18
Conclusions
19
Questions
Description:
Explore the connection between Koopmans' theorem and the spectral potential in this 45-minute tutorial by Andrea Ferretti, part of the Advanced Quantum ESPRESSO series on Hubbard and Koopmans functionals from linear response. Delve into topics such as mass construction, screening coefficients, and technical details of the approach. Examine similar ideas, the GW100 benchmark set, and applications to large molecules. Investigate matrix elements, spectra, and photon energy considerations. Learn about extended systems, band gap studies, and local orbital-dependent functions. Understand the equipment theorem, particle approximations, and various potentials. Gain insights into this advanced quantum mechanical topic, with opportunities for questions and discussion at the conclusion.

Koopmans Functionals and Spectral Potential in Quantum ESPRESSO - Tutorial 2

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