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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A new publication by Oussama Bindech, Bastien Valentin, Saad Yalouz and Vincent Robert
Oussama Bindech, Bastien Valentin, Saad Yalouz and Vincent Robert published a new paper, “Combining Effective Hamiltonians and Brillouin-Wigner Approach: A Perturbative Approach to Spectroscopy”, in Electronic Structure
Read moreA new preprint by Emmanuel Fromager
A new preprint by Emmanuel Fromager on Ensemble density functional theory of ground and excited energy levels
Read moreA new publication by Filip Cernatic, Emmanuel Fromager and Saad Yalouz
A new publication by Filip Cernatic, Emmanuel Fromager and Saad Yalouz published a new paper, “Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles”, in The Journal of Chemical Physics
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