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 moreA 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
Read moreA new preprint by Oussama Bindech, Bastien Valentin, Saad Yalouz and Vincent Robert on Combining Effective Hamiltonians and Brillouin-Wigner Approach: A Perturbative Approach to Spectroscopy
Read moreA new preprint by Filip Cernatic, Emmanuel Fromager and Saad Yalouz on Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles
Read moreA new preprint by Oussama Bindech, Roberto Marquardt, Souvik Mandal and coworkers on a quantum mechanical evaluation of the intermediate scattering function
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