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 moreSouvik Mandal, Oussama Bindech, Roberto Marquardt and coworkers published a new paper, “Quantized Vibrational Relaxation from Stochastic Non-Markovian System-Bath Dynamics” in The Journal of Physical Chemistry B
Read moreEmmanuel Fromager published a new paper, “Ensemble Density Functional Theory of Ground and Excited Energy Levels” in The Journal of Physical Chemistry A
Read morePablo Roseiro, Ashini Shah, Saad Yalouz and Vincent Robert published a new paper, “Interplay Between Spinmerism and Spin-Orbit Coupling for a d2 Metal Ion in an Open-Shell Ligand Field” […]
Read moreThe LCQS will contribute to the Master program “TCCM” as host laboratory for international trainees.
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