All Stories

  1. Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3

    Article • The Journal of Chemical Physics, March 2021, American Institute of Physics

    Paul S. Bagus

  2. Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity

    Article • The Journal of Chemical Physics, November 2020, American Institute of Physics

    Paul S. Bagus

  3. Cluster embedding of ionic systems: Point charges and extended ions

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Paul S. Bagus

  4. Validation of Koopmans' theorem for density functional theory binding energies

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Francesc Illas, Paul S. Bagus

  5. Theoretical analysis of the U L3-edge NEXAFS in U oxides

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Paul S. Bagus

  6. Surface core-level binding energy shifts for MgO(100)

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Paul S. Bagus

  7. The interpretation of XPS spectra: Insights into materials properties

    Article • Surface Science Reports, June 2013, Elsevier

    Paul S. Bagus

  8. Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

    Article • Journal of Electron Spectroscopy and Related Phenomena, October 1999, Elsevier

    Paul S. Bagus

  9. The Ground and Excited States of Oxides

    Article • Springer Science + Business Media

    Paul S. Bagus