Category: Preprint

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

A new preprint by Oussama Bindech, Roberto Marquardt, Souvik Mandal and coworkers on a quantum mechanical evaluation of the intermediate scattering function

A new preprint by Filip Cernatic (LCQS) and Emmanuel Fromager (LCQS) on the description of double electronic excitations within a recently proposed extended N-centered ensemble density functional theory

A new preprint by Emmanuel Fromager (LCQS) and coworker on a formulation of density functional theory beyond the Born—Oppenheimer approximation