Local correlation energies of two-electron atoms and model systems

نویسندگان

  • Chien-Jung Huang
  • C. J. Umrigar
چکیده

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. @S1050-2947~97!06607-9#

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تاریخ انتشار 1997