Polarizability as a local functional of the electron density |
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Authors: | Libero J Bartolotti |
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Institution: | (1) North Carolina Supercomputing Center, a Division of MCNC, Research Triangle Park, 27709-2889 North Carolina, USA |
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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. |
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Keywords: | Polarizability electron density shielding factor |
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