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 moreChantal Daniel and coworkers published a new paper, “Mono- IrIII versus heterobimetallic IrIII-AuI complexes for circularly polarized luminescence” in Chemistry
Read moreSaad Yalouz and coworkers published a new paper, “Transformation-Free Generation of a Quasi-Diabatic Representationfrom the State-Average Orbital-Optimized Variational QuantumEigensolver” in Journal of Chemical Theory and Computation
Read moreOussama Bindech, Souvik Mandal, Roberto Marquardt and coworkers published a new paper, “Study of vibrational stationary states of H/Pd(111)” in Molecular Physics
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
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