Local correlation energies of two-electron atoms and model systems

TitleLocal correlation energies of two-electron atoms and model systems
Publication TypeJournal Article
Year of Publication1997
AuthorsHuang CJ, Umrigar CJ
JournalPhys. Rev. A
Volume56
Pagination290-296
Date PublishedJul
ISSN1050-2947
Abstract

We present nearly local definitions of correlation energy density, and its potential and kinetic components, and evaluate them for several two-electron systems. This information should provide valuable guidance in constructing better correlation functionals than those in common use. In addition, we demonstrate that the quantum chemistry and the density-functional definitions of the correlation energy rapidly approach one another as the atomic number increases.

DOI10.1103/PhysRevA.56.290