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 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 moreWe are pleased to announce that the 4th (in-person) edition of the International summer School in electronic structure Theory: electron correlation in Physics and Chemistry (ISTPC) will take place in Aussois, Savoie, France, in the period June 16-29, 2024.
Read moreLucie Pepe (LCQS), Saad Yalouz (LCQS) and coworker published a new paper, “Optimized excitonic transport mediated by local energy defects: Survival of optimization laws in the presence of dephasing”, in Physical Review E
Read moreA new preprint by Emmanuel Fromager (LCQS) and coworker on a formulation of density functional theory beyond the Born—Oppenheimer approximation
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