Polarisabilities of iterated stockholder atoms

Polarisabilities of atoms within molecules can be calculated from molecular electron densities using the density partitioning method known as Iterated Stockholder Atoms (ISA). Non-local polarisation effects are removed by optimising ISA functional for perturbed density, with additional constraint that atomic charges do not change. The resulting polarisabilities chemically reasonable, tend to become smaller charge becomes more positive, and approximately transferable between in similar chemical environments. methodology extended calculate local higher-rank dispersion energy coefficients.