dorsal/arxiv
View SchemaStatic Electric Dipole Polarizabilities of Na Clusters
| Authors | S. Kümmel, T. Berkus, P. -G. Reinhard, M. Brack |
|---|---|
| Categories | |
| ArXiv ID | physics/9912045 |
| URL | https://arxiv.org/abs/physics/9912045 |
| DOI | 10.1007/s100530070089 |
| Journal | Eur. Phys. J. D 11, 239 (2000). |
Abstract
The static electric dipole polarizability of $\mathrm{Na_N}$ clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for $2\le N \le 20$, 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.
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"abstract": "The static electric dipole polarizability of $\\mathrm{Na_N}$ clusters with\neven N has been calculated in a collective, axially averaged and a\nthree-dimensional, finite-field approach for $2\\le N \\le 20$, including the\nionic structure of the clusters. The validity of a collective model for the\nstatic response of small systems is demonstrated. Our density functional\ncalculations verify the trends and fine structure seen in a recent experiment.\nA pseudopotential that reproduces the experimental bulk bond length and atomic\nenergy levels leads to a substantial increase in the calculated\npolarizabilities, in better agreement with experiment. We relate remaining\ndifferences in the magnitude of the theoretical and experimental\npolarizabilities to the finite temperature present in the experiments.",
"arxiv_id": "physics/9912045",
"authors": [
"S. K\u00fcmmel",
"T. Berkus",
"P. -G. Reinhard",
"M. Brack"
],
"categories": [
"physics.atm-clus",
"physics.chem-ph"
],
"doi": "10.1007/s100530070089",
"journal_ref": "Eur. Phys. J. D 11, 239 (2000).",
"title": "Static Electric Dipole Polarizabilities of Na Clusters",
"url": "https://arxiv.org/abs/physics/9912045"
},
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