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), Emmanuel Fromager (LCQS), and coworkers, on the derivation of a unified ensemble density functional theory of charged and neutral electronic […]
Read moreThe 20th International Conference on Density-Functional Theory and its Applications will be organized in Paris (France) in August 2024.
Read moreThe next ThéMoSiA-RCTF conference will take place in Rouen 24-28 June 2024.
Read more“Label de Chimie Théorique Nord-Ile-de-France” school Edition 2024 will take place in Paris from January 22 to February 2.
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