Reconstruction of molecular orbitals from photoemission data with iterative phase retrieval algorithms

  title={Reconstruction of molecular orbitals from photoemission data with iterative phase retrieval algorithms},
  author={Pavlo Kliuiev},
The present work addresses the reconstruction of molecular orbitals from angle-resolved photoelectron spectroscopy (ARPES) data by means of orbital tomography. Provided ARPES data are recorded from an ordered layer of molecules consisting of light atoms only, final state scattering effects can be neglected and the ARPES data can be related to the squared modulus of the Fourier transform of the initial state wave function. The wave function can be retrieved by the inverse Fourier transform, if… 
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