Theory for the optical properties of small Hg n clusters
| ISSN: |
1434-6079
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|---|---|
| Keywords: |
33.10 −a ; 31.50. +w
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| Source: |
Springer Online Journal Archives 1860-2000
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| Topics: |
Physics
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| Notes: |
Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment.
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| Type of Medium: |
Electronic Resource
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| URL: |
| _version_ | 1798297643046141952 |
|---|---|
| autor | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| autorsonst | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| book_url | http://dx.doi.org/10.1007/BF01448295 |
| datenlieferant | nat_lic_papers |
| hauptsatz | hsatz_simple |
| identnr | NLM189704616 |
| issn | 1434-6079 |
| journal_name | The European physical journal |
| materialart | 1 |
| notes | Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment. |
| package_name | Springer |
| publikationsjahr_anzeige | 1991 |
| publikationsjahr_facette | 1991 |
| publikationsjahr_intervall | 8009:1990-1994 |
| publikationsjahr_sort | 1991 |
| publisher | Springer |
| reference | 19 (1991), S. 215-217 |
| schlagwort | 33.10 −a 31.50. +w |
| search_space | articles |
| shingle_author_1 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| shingle_author_2 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| shingle_author_3 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| shingle_author_4 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. |
| shingle_catch_all_1 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. Theory for the optical properties of small Hg n clusters 33.10 −a 31.50. +w 33.10 −a 31.50. +w Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment. 1434-6079 14346079 Springer |
| shingle_catch_all_2 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. Theory for the optical properties of small Hg n clusters 33.10 −a 31.50. +w 33.10 −a 31.50. +w Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment. 1434-6079 14346079 Springer |
| shingle_catch_all_3 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. Theory for the optical properties of small Hg n clusters 33.10 −a 31.50. +w 33.10 −a 31.50. +w Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment. 1434-6079 14346079 Springer |
| shingle_catch_all_4 | Baladrón, C. Garcia, M. E. Stampfli, P. Bennemann, K. H. Theory for the optical properties of small Hg n clusters 33.10 −a 31.50. +w 33.10 −a 31.50. +w Abstract The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment. 1434-6079 14346079 Springer |
| shingle_title_1 | Theory for the optical properties of small Hg n clusters |
| shingle_title_2 | Theory for the optical properties of small Hg n clusters |
| shingle_title_3 | Theory for the optical properties of small Hg n clusters |
| shingle_title_4 | Theory for the optical properties of small Hg n clusters |
| sigel_instance_filter | dkfz geomar wilbert ipn albert fhp |
| source_archive | Springer Online Journal Archives 1860-2000 |
| timestamp | 2024-05-06T10:11:15.163Z |
| titel | Theory for the optical properties of small Hg n clusters |
| titel_suche | Theory for the optical properties of small Hg n clusters |
| topic | U |
| uid | nat_lic_papers_NLM189704616 |