Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities

ContextWe rationalize the excellent performance of information-theoretic descriptors for predicting atomic and molecular polarizabilities. It seems that descriptors which capture information about the change in valence-shell structure, especially the relative Fisher information measures, are particularly useful. Using this, we can rationalize why the G3 form of the relative Fisher information, which measures the deviation of effective nuclear charge between an atom-in-a-molecule and the reference pro-atom, is especially effective as a predictor of molecular polarizability.MethodsThere are no methods used in this paper, which relies on mathematical derivation and analysis.