dorsal/arxiv
View SchemaStructure and properties of small sodium clusters
| Authors | Ilia A. Solov'yov, Andrey V. Solov'yov, Walter Greiner |
|---|---|
| Categories | |
| ArXiv ID | physics/0112038 |
| URL | https://arxiv.org/abs/physics/0112038 |
| DOI | 10.1103/PhysRevA.65.053203 |
Abstract
We have investigated structure and properties of small metal clusters using all-electron ab initio theoretical methods based on the Hartree-Fock approximation and density functional theory, perturbation theory and compared results of our calculations with the available experimental data and the results of other theoretical works. We have systematically calculated the optimized geometries of neutral and singly charged sodium clusters having up to 20 atoms, their multipole moments (dipole and quadrupole), static polarizabilities, binding energies per atom, ionization potentials and frequencies of normal vibration modes. Our calculations demonstrate the great role of many-electron correlations in the formation of electronic and ionic structure of small metal clusters and form a good basis for further detailed study of their dynamic properties, as well as structure and properties of other atomic cluster systems.
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"abstract": "We have investigated structure and properties of small metal clusters using\nall-electron ab initio theoretical methods based on the Hartree-Fock\napproximation and density functional theory, perturbation theory and compared\nresults of our calculations with the available experimental data and the\nresults of other theoretical works. We have systematically calculated the\noptimized geometries of neutral and singly charged sodium clusters having up to\n20 atoms, their multipole moments (dipole and quadrupole), static\npolarizabilities, binding energies per atom, ionization potentials and\nfrequencies of normal vibration modes. Our calculations demonstrate the great\nrole of many-electron correlations in the formation of electronic and ionic\nstructure of small metal clusters and form a good basis for further detailed\nstudy of their dynamic properties, as well as structure and properties of other\natomic cluster systems.",
"arxiv_id": "physics/0112038",
"authors": [
"Ilia A. Solov\u0027yov",
"Andrey V. Solov\u0027yov",
"Walter Greiner"
],
"categories": [
"physics.atm-clus",
"physics.atom-ph"
],
"doi": "10.1103/PhysRevA.65.053203",
"title": "Structure and properties of small sodium clusters",
"url": "https://arxiv.org/abs/physics/0112038"
},
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