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Please use this identifier to cite or link to this item: http://hdl.handle.net/1813/5597
Title: Local correlation energies of two-electron atoms and model systems
Authors: Huang, Chien-Jung
Umrigar, C.J.
Keywords: theory center
Issue Date: Jan-1997
Publisher: Cornell University
Citation: http://techreports.library.cornell.edu:8081/Dienst/UI/1.0/Display/cul.tc/97-267
Abstract: We present nearly-local definitions of the 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 with increasing atomic number.
URI: http://hdl.handle.net/1813/5597
Appears in Collections:Cornell Theory Center Technical Reports

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