Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The [formula omitted] and [formula omitted] states of H 2

Abstract

We merge in this Letter electron number distribution functions at the coarse-grained level provided by the quantum theory of atoms in molecules and the interacting quantum atoms approach. We show that, together, they provide an appealing chemical image of how the spatial localization and the statistical dependence of electrons translate into the energetic features of simple bonds. This is done in the lowest singlet and triplet states of H 2.