Loris Delafosse, Vincent Robert and Saad Yalouz published a new paper, “Orthogonally constrained CASSCF framework: Newton–Raphson orbital optimization and nuclear gradients” in The Journal of Chemical Physics
Read moreA new preprint by Filip Cernatic (LCQS) and Emmanuel Fromager (LCQS) on the description of double electronic excitations within a recently proposed extended N-centered ensemble density functional theory
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.
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