About:Total position spread
In physics, the total position-spread (TPS) tensor is a quantity originally introduced in the modern theory of electrical conductivity. In the case of molecular systems, this tensor measures the fluctuation of the electrons around their mean positions, which corresponds to the delocalization of the electronic charge within a molecular system. The total position-spread can discriminate between metals and insulators taking information from the ground state wave function. This quantity can be very useful as an indicator to characterize Intervalence charge transfer processes, the bond nature of molecules (covalent, ionic, or weakly bonded), and Metal–insulator transition.
