Reconstruction of Molecular Orbital Densities from Photoemission Data

  title={Reconstruction of Molecular Orbital Densities from Photoemission Data},
  author={Peter Puschnig and Stephen P. Berkebile and Alexander J. Fleming and Georg Koller and Konstantin V. Emtsev and Thomas Seyller and J. D. Riley and Claudia Ambrosch-Draxl and Falko P. Netzer and Michael G. Ramsey},
  pages={702 - 706}
Electron Comings and Goings Advances in computational chemistry have enabled remarkably detailed calculations of electrons' spatial arrangements in complex molecules. Experimental confirmation of these orbital geometries remains challenging, however, particularly for molecules bound in thin layers to underlying surfaces—a morphology of increasing interest in organic semiconductor development. Puschnig et al. (p. 702, published online 10 September) mapped the trajectories of photoelectrons… 
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