Category: Preprint

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

A new preprint by Emmanuel Fromager on Ensemble density functional theory of ground and excited energy levels

A 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

A 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