dorsal/arxiv
View SchemaOn the applicability of jellium model to the description of alkali clusters
| Authors | Anton Matveentsev, Andrey Lyalin, Ilia A Solov'yov, Andrey V Solov'yov, Walter Greiner |
|---|---|
| Categories | |
| ArXiv ID | physics/0207085 |
| URL | https://arxiv.org/abs/physics/0207085 |
| DOI | 10.1142/S0218301303001181 |
| Journal | Int. J. Mod. Phys. E 12, 81-107, (2003). |
Abstract
This work is devoted to the elucidation the applicability of jellium model to the description of alkali cluster properties on the basis of comparison the jellium model results with those derived from experiment and within ab initio theoretical framework. On the basis of the Hartree-Fock and local-density approximation deformed jellium model we have calculated the binding energies per atom, ionization potentials, deformation parameters and the optimized values of the Wigner-Seitz radii for neutral and singly charged sodium clusters with the number of atoms N <= 20. These characteristics are compared with the results derived from the ab initio all-electron simulations of cluster electronic and ionic structure based on the density functional theory as well as on the post Hartree-Fock perturbation theory on many-electron correlation interaction. The comparison performed demonstrates the great role of cluster shape deformations in the formation cluster properties and the quite reasonable level of applicability of the deformed jellium model.
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"abstract": "This work is devoted to the elucidation the applicability of jellium model to\nthe description of alkali cluster properties on the basis of comparison the\njellium model results with those derived from experiment and within ab initio\ntheoretical framework. On the basis of the Hartree-Fock and local-density\napproximation deformed jellium model we have calculated the binding energies\nper atom, ionization potentials, deformation parameters and the optimized\nvalues of the Wigner-Seitz radii for neutral and singly charged sodium clusters\nwith the number of atoms N \u003c= 20. These characteristics are compared with the\nresults derived from the ab initio all-electron simulations of cluster\nelectronic and ionic structure based on the density functional theory as well\nas on the post Hartree-Fock perturbation theory on many-electron correlation\ninteraction. The comparison performed demonstrates the great role of cluster\nshape deformations in the formation cluster properties and the quite reasonable\nlevel of applicability of the deformed jellium model.",
"arxiv_id": "physics/0207085",
"authors": [
"Anton Matveentsev",
"Andrey Lyalin",
"Ilia A Solov\u0027yov",
"Andrey V Solov\u0027yov",
"Walter Greiner"
],
"categories": [
"physics.atm-clus",
"physics.chem-ph"
],
"doi": "10.1142/S0218301303001181",
"journal_ref": "Int. J. Mod. Phys. E 12, 81-107, (2003).",
"title": "On the applicability of jellium model to the description of alkali clusters",
"url": "https://arxiv.org/abs/physics/0207085"
},
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