Effect of the interelectronic repulsion on the information content of position and momentum atomic densities
Juan Carlos Angulo, Sheila López‐Rosa, Julian Antolin · International Journal of Quantum Chemistry · 2009
Abstract The interelectronic repulsion is strongly responsible of the main structural characteristics of the atomic densities and, in particular, of their level of information content. In this work, the effect of such a repulsion on some information‐theoretic descriptors is quantified and analyzed by considering different complexities and distances between the Bare Coulomb Field (BCF) and the Hartree–Fock (HF) position and momentum densities of neutral atoms throughout the Periodic Table. In doing so, the Quantum Similarity Index (QSI), the Quadratic Distance (QD), the Jensen‐Shannon (JSD) and Fisher (FD) Divergences as well as complexity measures are employed. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010