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Polarizability as a local functional of the electron density
Authors:Libero J Bartolotti
Institution:(1) North Carolina Supercomputing Center, a Division of MCNC, Research Triangle Park, 27709-2889 North Carolina, USA
Abstract:Expressions for the multipole polarizability and shielding factor for an atom are obtained using the model where the total electron energy is assumed to be a local functional of the electron density. This simple model correctly predicts the leading term in the 1/Z expansion of the polarizability. Further, the simple local density functional for the polarizability, when evaluated with ground-state Hartree-Fock densities, yields numerical values for atoms which are, in general, in reasonable agreement with those obtained from coupled Hartree-Fock theory.
Keywords:Polarizability  electron density  shielding factor
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