Static electric dipole polarizabilities of Na clusters |
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Authors: | S Kümmel T Berkus P-G Reinhard M Brack |
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Institution: | (1) Institute for Theoretical Physics, University of Regensburg, 93040 Regensburg, Germany, DE;(2) Institute for Theoretical Physics, University of Erlangen, 91077 Erlangen, Germany, DE |
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Abstract: | The static electric dipole polarizability of Na
N
clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for , including the ionic structure of the clusters. The validity of a collective model for the static response of small systems
is demonstrated. Our density functional calculations verify the trends and fine structure seen in a recent experiment. A pseudopotential
that reproduces the experimental bulk bond length and atomic energy levels leads to a substantial increase in the calculated
polarizabilities, in better agreement with experiment. We relate remaining differences in the magnitude of the theoretical
and experimental polarizabilities to the finite temperature present in the experiments.
Received 8 November 1999 |
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Keywords: | PACS 36 40 -c Atomic and molecular clusters - 31 15 Ew Density-functional theory - 33 15 Kr Electric and magnetic moments (and derivatives) polarizability and magnetic susceptibility |
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