All Stories

  1. Rethinking the Kohn–Sham inverse problem

    Article • The Journal of Chemical Physics, September 2025, American Institute of Physics

    Stephan Kummel

  2. Accurate electron densities from quantum Monte Carlo calculations using real-space grids

    Article • The Journal of Chemical Physics, April 2025, American Institute of Physics

    Stephan Kummel

  3. Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation

    Article • The Journal of Chemical Physics, May 2024, American Institute of Physics

    Stephan Kummel

  4. Exact exchange-like electric response from a meta-generalized gradient approximation: A semilocal realization of ultranonlocality

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

    Stephan Kummel

  5. Meta-generalized gradient approximations in time dependent generalized Kohn–Sham theory: Importance of the current density correction

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

    Stephan Kummel

  6. Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights

    Article • The Journal of Chemical Physics, March 2022, American Institute of Physics

    Stephan Kummel

  7. Erratum: “Linear response time-dependent density functional theory without unoccupied states: The Kohn-Sham-Sternheimer scheme revisited” [J. Chem. Phys. 149, 024105 (2018)]

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

    Stephan Kummel

  8. Self-interaction correction, electrostatic, and structural influences on time-dependent density functional theory excitations of bacteriochlorophylls from the light-harvesting complex 2

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

    Stephan Kummel

  9. Molecular excitations from meta-generalized gradient approximations in the Kohn–Sham scheme

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

    Stephan Kummel

  10. Exploring local range separation: The role of spin scaling and one-electron self-interaction

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

    Stephan Kummel

  11. Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2

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

    Stephan Kummel, thiago branquinho de queiroz

  12. Hydrogen binding energies and electronic structure of Ni–Pd particles: a clue to their special catalytic properties

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

    Stephan Kummel

  13. Angle resolved photoemission from organic semiconductors: orbital imaging beyond the molecular orbital interpretation

    Article • New Journal of Physics, October 2014, Institute of Physics Publishing

    Stephan Kummel

  14. One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation

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

    Stephan Kummel, Eli Kraisler

  15. Optical absorption in donor–acceptor polymers – alternating vs. random

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

    Stephan Kummel