Mutual information and correlation measures in atomic systems.
Mutual information is introduced as an electron correlation measure and examined for isoelectronic series and neutral atoms. We show that it possesses the required characteristics of a correlation measure and is superior to the behavior of the radial correlation coefficient in the neon series. A local mutual information, and related local quantities, are used to examine the local contributions to Fermi correlation, and to demonstrate and to interpret the intimate relationship between correlation and localization.
Sagar
Robin P
RP
Departamento de Química, Universidad Autónoma Metropolitana Apartado Postal 55-534, Iztapalapa, 09340 México DF, México.
Guevara
Nicolais L
NL