Requirements of first-principles calculations of X-ray absorption spectra of liquid water

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DOI

  • Thomas Fransson, Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden , Sweden
  • Iurii Zhovtobriukh, Fysikum, Stockholm University, Albanova, Sweden
  • Sonia Coriani
  • Kjartan T. Wikfeldt, Fysikum, Stockholm University, Albanova, Science Institute, University of Iceland, Sweden
  • Patrick Norman, Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden , Sweden
  • Lars G M Pettersson, Fysikum, Stockholm University, Albanova, Sweden
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume18
Issue1
Pages (from-to)566-583
Number of pages18
ISSN1463-9076
DOIs
Publication statusPublished - 2016

    Research areas

  • NEXAFS, WATER CLUSTERS, DFT calculations, Coupled cluster calculations

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