Bond metallicity measures

It was recently proposed that the metallicity of chemical bond can be determined by the electron density divided by its Laplacian, evaluated at the bond critical point, ρ(rbcp)/∇2ρ(rbcp). We define a new, dimensionless, form of this bond metallicity measure. We explain why these bond metallicity measures work by showing that the bond metallicity is inversely related to “nearsightedness” of the first-order density matrix. These bond metallicity …