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QE school 2023

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Thumbnail of 5.4 Concluding remarks
5.4 Concluding remarks
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 5.3 Computational Workflows for an Accelerated Design of Novel Materials
5.3 Computational Workflows for an Accelerated Design of Novel Materials
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 5.2 AiiDA-Vibroscopy: all-functional infrared and Raman spectra
5.2 AiiDA-Vibroscopy: all-functional infrared and Raman spectra
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 4.5 Ab initio many-body perturbation theory
4.5 Ab initio many-body perturbation theory
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 4.4 Koopmans spectral functionals: implementation in periodic boundary conditions
4.4 Koopmans spectral functionals: implementation in periodic boundary conditions
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 4.3 Koopmans functionals in practice: minimisation, screening coefficients
4.3 Koopmans functionals in practice: minimisation, screening coefficients
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 4.2 Koopmans compliance: Towards a functional theory of the spectral density
4.2 Koopmans compliance: Towards a functional theory of the spectral density
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 4.1 Koopmans functionals: Basic concepts
4.1 Koopmans functionals: Basic concepts
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 3.5 Phonons and electron-phonon coupling using DFPT+U
3.5 Phonons and electron-phonon coupling using DFPT+U
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 3.4 Successes and failures of DFT+U in ferroic materials
3.4 Successes and failures of DFT+U in ferroic materials
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 3.3 Dynamical extension of DFT+U: U(w)
3.3 Dynamical extension of DFT+U: U(w)
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023
Thumbnail of 3.2 First-principles calculation of Hubbard parameters using linear-response theory
3.2 First-principles calculation of Hubbard parameters using linear-response theory
Lecture from the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response.
Owner: Roberto Bendinelli
Created on Nov 28, 2023

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