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First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

Author

Listed:
  • Shunsuke A. Sato

    (Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science)

  • Hannes Hübener

    (Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science)

  • Angel Rubio

    (Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science
    Center for Computational Quantum Physics (CCQ), The Flatiron Institute
    Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del País Vasco UPV/EHU)

  • Umberto De Giovannini

    (Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science)

Abstract

We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal footing. To examine the performance of the method, we use it to compute the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) experiments of gas-phase Argon. The computed RABBITT photoionization delay is in very good agreement with recent experimental results from [Klünder et al., Phys. Rev. Lett. 106, 143002 (2011)] and [Guénot et al., Phys. Rev. A 85, 053424 (2012)]. This indicates the significance of a fully-consistent theoretical treatment of the whole measurement process to properly describe experimental observables in attosecond photoelectron spectroscopy. The present framework opens the path to unravel the microscopic processes underlying RABBITT spectra in more complex materials and nanostructures.

Suggested Citation

  • Shunsuke A. Sato & Hannes Hübener & Angel Rubio & Umberto De Giovannini, 2018. "First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 91(6), pages 1-8, June.
    • Handle: RePEc:spr:eurphb:v:91:y:2018:i:6:d:10.1140_epjb_e2018-90108-7
    DOI: 10.1140/epjb/e2018-90108-7
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