Chemical bonding in initial building blocks of semiconductors: Geometrical structures and optical absorption spectra of isolated CdSe2+ and Cd2Se2+ species

Marc Jäger (Corresponding author), Armin Shayeghi, Viktor Klippenstein, Roy L. Johnston, Rolf Schaefer

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number244308
Number of pages14
JournalJournal of Chemical Physics
Volume149
Issue number24
DOIs
Publication statusPublished - 28 Dec 2018

Austrian Fields of Science 2012

  • 104026 Spectroscopy
  • 103006 Chemical physics

Keywords

  • TOTAL-ENERGY CALCULATIONS
  • QUANTUM DOTS SYNTHESIS
  • CONSISTENT BASIS-SETS
  • CONVERGENT BASIS-SETS
  • ELECTRONIC-STRUCTURE
  • CADMIUM SELENIDE
  • PHOTODISSOCIATION SPECTROSCOPY
  • MOLECULAR-DYNAMICS
  • GENETIC ALGORITHM
  • SIZE DEPENDENCE

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