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Lumen: an ab-initio code for non-linear response in solids

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Lumen is an ab-initio code that solves time-dependent Schrödinger equation with an effective Hamiltonian to obtain linear and non-linear response in extended systems

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Lumen: an ab-initio code for non-linear response in solids

  1. 1. http://www.attaccalite.com/lumen/ Claudio Attaccalite and Myrta Grűning 
  2. 2. What is Lumen? based on Yambo 4.1.3 Lumen is an ab-initio code that solves time-dependent Schrödinger equation with an effective Hamiltonian to obtain linear and non-linear response in extended systems
  3. 3. Lumen key features: 1) Solve en effective time­dependent  Schrödinger  equation in a Kohn­Sham basis set 2) Polarization in term of Berry­phase 3) Extract non­linear response functions from the  polarization 4) Correlation effects can be included at different  levels
  4. 4. What can you do with Lumen? 1/2 Linear response SHG, THG optical rectificatio n Spin-orbit coupling, polarised light etc...
  5. 5. What can you do with Lumen? 2/2 Two-photon absorption and Kerr coefficients Electro- absorption
  6. 6. Correlation and non-linear response IPA  IPA + scissors or G0 W0 TD­Hartree TD­DFT TD­DFPT (a/q² and more) TD­BSE (screened exchange)
  7. 7. What next? 1/2 HHG? Short pulses?
  8. 8. What next? 2/2 Electron-phonon coupling? Induded magnetization?
  9. 9. If you want to study non-linear phenomena feel free to play with Lumen Graphics and logo by M. Grűning http://www.attaccalite.com/lumen/ References: C. Attaccalite, M. Grüning, PRB, 88, 235113 (2013) M. Grüning, D. Sangalli, C. Attaccalite, PRB 94, 035149 (2016)
  10. 10. If you want to study non-linear phenomena feel free to play with Lumen Graphics and logo by M. Grűning http://www.attaccalite.com/lumen/ References: C. Attaccalite, M. Grüning, PRB, 88, 235113 (2013) M. Grüning, D. Sangalli, C. Attaccalite, PRB 94, 035149 (2016)

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