Local density of states and electric charge in regions defined for individual atoms and
molecules using grid based Bader analysis is presented for N 2 and CO 2 adsorbed on a
platinum electrode in the presence of an applied electric field. When the density of states is
projected onto Bader regions, the partial density of states for the various subregions
correctly sums up to the total density of states for the whole system, unlike the commonly
used projection onto spheres which results in missing contributions from some regions while …