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Streaking single-electron ionization in open-shell molecules driven by x-ray pulses

M. E. Mountney1, T. C. Driver2,3, A. Marinelli3, M. F. Kling2,3,4, J. P. Cryan2,3, and A. Emmanouilidou1

  • 1Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
  • 2Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  • 3SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  • 4Department of Applied Physics, Stanford University, Stanford, California 94305, USA

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Phys. Rev. A 107, 063111 – Published 30 June, 2023

DOI: https://doi.org/10.1103/PhysRevA.107.063111

Abstract

We obtain continuum molecular wavefunctions for open-shell molecules in the Hartree-Fock framework. We do so while accounting for the singlet or triplet total spin symmetry of the molecular ion, that is, of the open-shell orbital and the initial orbital where the electron ionizes from. Using these continuum wavefunctions, we obtain the dipole matrix elements for a core electron that ionizes due to single-photon absorption by a linearly polarized x-ray pulse. After ionization from the x-ray pulse, we control or streak the electron dynamics using a circularly polarized infrared (IR) pulse. For a high-intensity IR pulse and photon energies of the x-ray pulse close to the ionization threshold of the 1σ or 2σ orbitals, we achieve control of the angle of escape of the ionizing electron by varying the phase delay between the x-ray and IR pulses. For a low-intensity IR pulse, we obtain final electron momenta distributions on the plane of the circularly polarized IR pulse and we find that many features of these distributions correspond to the angular patterns of electron escape solely due to the x-ray pulse.

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Phys. Rev. A 107, 063111– Published 30 June, 2023
  • Received 14 February 2023
  • Accepted 9 June 2023
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