Electronic correlation effects in a model of endohedral Mg (Mg@C-60)
| dc.contributor.author | Lyras, A. | en |
| dc.contributor.author | Bachau, H. | en |
| dc.date.accessioned | 2015-11-24T18:29:18Z | |
| dc.date.available | 2015-11-24T18:29:18Z | |
| dc.identifier.issn | 0953-4075 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/16248 | |
| dc.rights | Default Licence | - |
| dc.subject | autoionizing states | en |
| dc.subject | confined atoms | en |
| dc.subject | ionization | en |
| dc.subject | photoionization | en |
| dc.subject | metallofullerenes | en |
| dc.subject | spectroscopy | en |
| dc.subject | resonances | en |
| dc.subject | continuum | en |
| dc.subject | 2-photon | en |
| dc.subject | photon | en |
| dc.title | Electronic correlation effects in a model of endohedral Mg (Mg@C-60) | en |
| heal.abstract | We have studied theoretically the atomic structure and ground-state photoionization cross-section in a model of endohedral Mg (Mg@C-60) with particular emphasis on doubly excited bound and autoionizing (AI) states. We modelled Mg@C-60 as a system of two active electrons outside a frozen, doubly charged ionic core, confined to a spherically symmetric potential well of finite depth. We employed a suitable B-spline basis set within a Cl approach to describe the two-electron states of the confined system. In addition, we have calculated the ground-state photoionization cross-section in a limited energy range above the first ionization threshold. We found that doubly excited perturbers appear in each regular singly excited Rydberg series of bound states. They are composed of two-electron configurations built with those one-electron orbitals mostly affected by the confining potential. Moreover, the low-lying part of the AI spectrum for each symmetry analysed is perturbed by states novel to the confined system, whose configuration expansion is again dominated by the one-electron orbitals mostly affected by the confining potential and whose Al widths vary over a wide range of values. Finally, the ground-state photoionization cross-section in a limited energy range (a few eV) above the first ionization threshold is structured by the AI resonances in a way markedly different from the corresponding Mg atom cross-section. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | Doi 10.1088/0953-4075/38/8/004 | - |
| heal.identifier.secondary | <Go to ISI>://000229222500005 | - |
| heal.identifier.secondary | http://iopscience.iop.org/0953-4075/38/8/004/pdf/0953-4075_38_8_004.pdf | - |
| heal.journalName | Journal of Physics B-Atomic Molecular and Optical Physics | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2005 | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Επιστημών και Τεχνολογιών. Τμήμα Βιολογικών Εφαρμογών και Τεχνολογιών | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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