| Literature DB >> 16095347 |
Robin P Sagar1, Nicolais L Guevara.
Abstract
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.Entities:
Year: 2005 PMID: 16095347 DOI: 10.1063/1.1953327
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488