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
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A new preprint by Lucien Dupuy, Toni Chiti, Jérémy Morere and Emmanuel Fromager
A new preprint by Lucien Dupuy, Toni Chiti, Jérémy Morere and Emmanuel Fromager on Ensemble density functional theory of excited states: Exact N-centered formalism and practical opportunities is now available on arXiv
Read moreA new preprint by Saad Yalouz and coworker
A new preprint by Saad Yalouz and coworker on Light-Induced Quantum Self-Trapping of Vibrational Excitons in an Optical Cavity is now available on arXiv
Read moreA new preprint by Vincent Robert, Giovanni Li Manni and coworkers
A new preprint by Vincent Robert, Giovanni Li Manni and coworkers on Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active Spaces is now […]
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