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 […]
Read moreA new preprint by Saad Yalouz and coworkers on Transformation-free generation of a quasi-diabatic representation from the state-average orbital-optimized variational quantum eigensolver
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” […]
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