Electron-pair entropic and complexity measures in atomic systems

Abstract

The two-electron atomic densities are analysed in both position and momentum spaces in terms of different information-theoretic measures, such as disequilibrium, Shannon entropy, shape complexity and its corresponding information plane. This study is conveyed throughout the Periodic Table and the obtained results are discussed in terms of varied atomic properties such as (i) atomic charge, (ii) shell filling patterns and (iii) electronic correlation. A detailed discussion on how these properties modify in a particular manner the electron density structure when considering a one-electron or a two-electron density description is conducted.