A new preprint by Lucien Dupuy, Emmanuel Fromager and coworker
A new preprint by Lucien Dupuy, Emmanuel Fromager and coworker on Exactly factorized molecular Kohn–Sham density functional theory is now available on the arXiv
Read moreA new preprint by Saad Yalouz and coworkers
A 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
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A new publication by Souvik Mandal, Oussama Bindech, Roberto Marquardt and coworkers
Souvik 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
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A new publication by Emmanuel Fromager
Emmanuel Fromager published a new paper, “Ensemble Density Functional Theory of Ground and Excited Energy Levels” in The Journal of Physical Chemistry A
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A new publication by Pablo Roseiro, Ashini Shah, Saad Yalouz and Vincent Robert
Pablo 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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