화학공학소재연구정보센터
Chemical Physics Letters, Vol.438, No.4-6, 330-335, 2007
Local correlation measures and atomic shell structure
The correlation coefficient and mutual information, used to measure the interdependence between two variables, are generalized to the local level and employed to examine the radial distribution of electron correlation. We compare the behavior of the two local measures with regard to their emphasis on core and valence correlation and show that while there are differences, both are able to correctly reproduce the shell structure in atomic systems. (c) 2007 Elsevier B.V. All rights reserved.