dorsal/arxiv
View SchemaExact exchange optimized effective potential and self-compression of stabilized jellium clusters
| Authors | M. Payami |
|---|---|
| Categories | |
| ArXiv ID | physics/0508157 |
| URL | https://arxiv.org/abs/physics/0508157 |
| DOI | 10.1103/PhysRevB.73.113106 |
| Journal | Phys. Rev. B 73, 113106 (2006) |
Abstract
In this work, we have used the exchange-only optimized effective potential in the self-consistent calculations of the density functional Kohn-Sham equations for simple metal clusters in stabilized jellium model with self-compression. The results for the closed-shell clusters of Al, Li, Na, K, and Cs with $N=$2, 8, 18, 20, 34, and 40 show that the clusters are 3% more compressed here than in the local spin density approximation. On the other hand, in the LSDA, neglecting the correlation results in a contraction by 1.4%.
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"abstract": "In this work, we have used the exchange-only optimized effective potential in\nthe self-consistent calculations of the density functional Kohn-Sham equations\nfor simple metal clusters in stabilized jellium model with self-compression.\nThe results for the closed-shell clusters of Al, Li, Na, K, and Cs with $N=$2,\n8, 18, 20, 34, and 40 show that the clusters are 3% more compressed here than\nin the local spin density approximation. On the other hand, in the LSDA,\nneglecting the correlation results in a contraction by 1.4%.",
"arxiv_id": "physics/0508157",
"authors": [
"M. Payami"
],
"categories": [
"physics.atm-clus",
"cond-mat.mtrl-sci"
],
"doi": "10.1103/PhysRevB.73.113106",
"journal_ref": "Phys. Rev. B 73, 113106 (2006)",
"title": "Exact exchange optimized effective potential and self-compression of stabilized jellium clusters",
"url": "https://arxiv.org/abs/physics/0508157"
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