All Stories

  1. Orbital-optimized density functional calculations of molecular Rydberg excited states with real space grid representation and self-interaction correction

    Article • The Journal of Chemical Physics, December 2023, American Institute of Physics

    Professor Hannes Jónsson

  2. Skyrmions in antiferromagnets: Thermal stability and the effect of external field and impurities

    Article • Journal of Applied Physics, June 2020, American Institute of Physics

    Professor Hannes Jónsson

  3. Calculations of Al dopant in α -quartz using a variational implementation of the Perdew–Zunger self-interaction correction

    Article • New Journal of Physics, August 2015, Institute of Physics Publishing

    Professor Hannes Jónsson

  4. Self-interaction corrected density functional calculations of molecular Rydberg states

    Article • The Journal of Chemical Physics, November 2013, American Institute of Physics

    Professor Hannes Jónsson

  5. Hydrogen adsorption and desorption at the Pt(110)-(1×2) surface: experimental and theoretical study

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Hannes Jónsson

  6. Molecular rearrangement reactions in the gas phase triggered by electron attachment

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Hannes Jónsson, Aleksandr Abramov

  7. A transferable H2O interaction potential based on a single center multipole expansion: SCME

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Hannes Jónsson, Dr Kjartan Thor Wikfeldt

  8. Local density of states analysis using Bader decomposition for N2 and CO2 adsorbed on Pt(110)-(1 × 2) electrodes

    Article • The Journal of Chemical Physics, October 2012, American Institute of Physics

    Professor Hannes Jónsson

  9. The effect of the Perdew-Zunger self-interaction correction to density functionals on the energetics of small molecules

    Article • The Journal of Chemical Physics, September 2012, American Institute of Physics

    Professor Hannes Jónsson

  10. Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Hannes Jónsson

  11. Long-timescale simulations of diffusion in molecular solids

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Hannes Jónsson

  12. A method for finding the ridge between saddle points applied to rare event rate estimates

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Tejs Vegge, Professor Hannes Jónsson

  13. A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Tejs Vegge, Professor Hannes Jónsson

  14. Experimental and theoretical study of the metastable decay of negatively charged nucleosides in the gas phase

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Professor Hannes Jónsson