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

Research output: Research - peer-reviewJournal article

DOI

  • Thomas Fransson
    Thomas FranssonDepartment of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden Sweden
  • Iurii Zhovtobriukh
    Iurii ZhovtobriukhFysikum, Stockholm University, AlbanovaSweden
  • Sonia Coriani
  • Kjartan T. Wikfeldt
    Kjartan T. WikfeldtFysikum, Stockholm University, AlbanovaScience Institute, University of IcelandSweden
  • Patrick Norman
    Patrick NormanDepartment of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden Sweden
  • Lars G M Pettersson
    Lars G M PetterssonFysikum, Stockholm University, AlbanovaSweden
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number1
Pages (from-to)566-583
Number of pages18
ISSN1463-9076
DOIs
StatePublished - 2016

    Research areas

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

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