The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model: Theory and applications to compression response functions of atoms

Roberto Cammi, Bo Chen 0012. The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model: Theory and applications to compression response functions of atoms. Journal of Computational Chemistry, 43(17):1176-1185, 2022. [doi]

Abstract

Abstract is missing.