Bond metallicity of materials from real space charge density distributions

Within the framework of the theory of atoms in molecules, AIM, it was recently proposed that the metallicity of a bond could be determined from the properties of the electron density at the bond critical point using the ratio ξJ(rbcp)=ρ(rbcp)/∇2ρ(rbcp). In this study we have mined results published using AIM and considered three different local measures of the bond metallicity: the original metallicity definition ξJ(rbcp), a dimensionless …