Koopmans Functionals and Spectral Potential in Quantum ESPRESSO - Tutorial 2

Koopmans Functionals and Spectral Potential in Quantum ESPRESSO - Tutorial 2

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Introduction

1 of 19

1 of 19

Introduction

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Koopmans Functionals and Spectral Potential in Quantum ESPRESSO - Tutorial 2

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  1. 1 Introduction
  2. 2 Mass construction
  3. 3 Screening coefficients
  4. 4 Technical details
  5. 5 Similar ideas
  6. 6 GW100
  7. 7 Large molecules
  8. 8 Matrix element
  9. 9 Spectra
  10. 10 Photon energy
  11. 11 Extended systems
  12. 12 Study band gaps
  13. 13 Why
  14. 14 Local orbital dependent functions
  15. 15 Equipments theorem
  16. 16 Particle approximation
  17. 17 Potentials
  18. 18 Conclusions
  19. 19 Questions

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