Lucien Dupuy, Toni Chiti, Jeremy Morere and Emmanuel Fromager published a new paper, “Ensemble density functional theory of excited states: Exact N-centered formalism and practical opportunities” in The Journal of Chemical Physics
Read moreLoris Delafosse, Amr Hussein, Saad Yalouz and Vincent Robert published a new paper, “A Two-Step Rayleigh-Schrödinger Brillouin-Wigner Approach to Transition Energies”, in Electronic Structure
Read moreChristophe Gourlaouen, Thomas Groizard, Chantal Daniel and coworkers are on the cover of Physical Chemistry Chemical Physics for their work on “Chiroptical activity of benzannulated N-heterocyclic carbene rhenium(i) tricarbonyl halide complexes: towards efficient circularly polarized luminescence emitters”.
Read moreThe LCQS welcomed Emiel Koridon from Leiden Universiteit (The Netherlands) during the second week of February 2024.
Read moreThe 10th Virtual Winter School for Computational Chemistry will be held 29th January – 2nd February 2024. Registration is now open and is free for all participants. The conference talks will be held live online using conferencing software.
Read more
