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Direct SCF direct static-exchange calculations of electronic spectra

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Abstract.

Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.

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Authors and Affiliations

  1. Institute of Physics and Measurement Technology, Linköping University, S-58183, Linköping, Sweden, , , , , , SE

    Hans Ågren & Olav Vahtras

  2. ICQEM-C.N.R., Via Risorgimento 35, I-56100 Pisa, Italy, , , , , , IT

    Vincenzo Carravetta

  3. FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden, , , , , , SE

    Lars G. M. Pettersson

Authors
  1. Hans Ågren
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  2. Vincenzo Carravetta
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  3. Olav Vahtras
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  4. Lars G. M. Pettersson
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Received: 28 December 1996 / Accepted: 8 April 1997

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Ågren, H., Carravetta, V., Vahtras, O. et al. Direct SCF direct static-exchange calculations of electronic spectra. Theor Chem Acta 97, 14–40 (1997). https://doi.org/10.1007/s002140050234

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  • DOI: https://doi.org/10.1007/s002140050234

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