Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties

J Chem Phys. 2014 Aug 21;141(7):074306. doi: 10.1063/1.4893178.

Abstract

Semiquantitative relationships between the mean static dipole polarizability and other molecular properties such as the volume, ionization energy, electronegativity, hardness, and moments of momentum are explored. The relationships are tested using density functional theory computations on the 1641 neutral, ground-state, organic molecules in the TABS database. The best polarizability approximations have median errors under 5%.