Delocalization of electrons in molecules

We report a general method for the investigation and quantification of delo calization in molecules. The method is based on the anisotropy of the curre nt-induced density (ACID). Compared to the current density, which has been frequently used to investigate delocalization, the ACID approach has severa l advantages: it is a scaler field which is invariant with respect to the r elative orientation of the magnetic field and the molecule, it is not a sim ple function of the overall electron density, it has the same symmetry as t he wave function, and it can be plotted as an isosurface, Several selected examples demonstrate the predictive power and the general applicability of this method.