Author: grouaut

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

Lucien Dupuy, Emmanuel Fromager and coworker published a new paper, “Exactly Factorized Molecular Kohn–Sham Density Functional Theory” in the Journal of Computational Chemistry

Wafa Makhlouf, Emmanuel Fromager and coworker published a new paper, “Generalized local potential functional embedding theory of localized orbitals” in Electronic Structure

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