Journal of Chemical Physics, Vol.106, No.22, 9227-9235, 1997
Analysis of Dynamical and Nondynamic Components of Electron Correlation-Energy by Means of Local-Scaling Density-Functional Theory
The partitioning of electron correlation energy into dynamical and nondynamical components is examined in the context of the local-scaling transformation version of density-functional theory and its connection with the Hohenberg-Kohn-Sham density-functional-theory definition of electron correlation is discussed. The relative importance of these components is analyzed with reference to the helium atom and its isoelectronic series. The present results attest to the preponderantly dynamical character of the recovered correlation energy.
Keywords:SECOND ROW ATOMS;KOHN-SHAM;TRANSFORMATIONS;FORMULATION;POTENTIALS;MOLECULES;VERSION;DRIVEN;SERIES