Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems
ABSTRACT: We present an efficient computational method to obtain accurate values for energy positions and widths of autoionizing states in Be-like atomic systems. The two-active (outer) electron wavefunction is expanded in terms of Hylleraas-type correlated configurations. The interaction with the 1...
- Autores:
-
Cardona Gómez, Juan Carlos
Sanz Vicario, José Luis
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2009
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- eng
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/8381
- Acceso en línea:
- http://hdl.handle.net/10495/8381
- Palabra clave:
- Cálculo de estados resonantes
Sistemas atómicos de tipo Be
- Rights
- openAccess
- License
- Atribución-NoComercial-SinDerivadas 2.5 Colombia
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Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| title |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| spellingShingle |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems Cálculo de estados resonantes Sistemas atómicos de tipo Be |
| title_short |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| title_full |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| title_fullStr |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| title_full_unstemmed |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| title_sort |
Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems |
| dc.creator.fl_str_mv |
Cardona Gómez, Juan Carlos Sanz Vicario, José Luis |
| dc.contributor.author.none.fl_str_mv |
Cardona Gómez, Juan Carlos Sanz Vicario, José Luis |
| dc.subject.none.fl_str_mv |
Cálculo de estados resonantes Sistemas atómicos de tipo Be |
| topic |
Cálculo de estados resonantes Sistemas atómicos de tipo Be |
| description |
ABSTRACT: We present an efficient computational method to obtain accurate values for energy positions and widths of autoionizing states in Be-like atomic systems. The two-active (outer) electron wavefunction is expanded in terms of Hylleraas-type correlated configurations. The interaction with the 1s2 frozen core is represented through a model potential and the unphysical 1sn` series of virtual core states are removed by using a Phillips-Kleinman pseudopotential projector. A novel feature is that all matrix elements can be written in closed form. We illustrate the performance of our approach in computing doubly-excited states in Be and Ne6+ by using the stabilization method. |
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2009 |
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2009 |
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2017-09-27T21:54:02Z |
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2017-09-27T21:54:02Z |
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info:eu-repo/semantics/article |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 http://purl.org/coar/version/c_71e4c1898caa6e32 |
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Artículo de investigación |
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Cardona Gómez, J. C., & Sanz Vicario, J. L. (2009). Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems. Journal of Physics: Conference Series, 94(152019), 1. DOI:10.1088/1742-6596/194/15/152019 |
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1742-6588 |
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http://hdl.handle.net/10495/8381 |
| dc.identifier.doi.none.fl_str_mv |
10.1088/1742-6596/194/15/152019 |
| dc.identifier.eissn.none.fl_str_mv |
1742-6596 |
| identifier_str_mv |
Cardona Gómez, J. C., & Sanz Vicario, J. L. (2009). Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems. Journal of Physics: Conference Series, 94(152019), 1. DOI:10.1088/1742-6596/194/15/152019 1742-6588 10.1088/1742-6596/194/15/152019 1742-6596 |
| url |
http://hdl.handle.net/10495/8381 |
| dc.language.iso.spa.fl_str_mv |
eng |
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eng |
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Atribución-NoComercial-SinDerivadas 2.5 Colombia |
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info:eu-repo/semantics/openAccess |
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http://creativecommons.org/licenses/by-nc-nd/2.5/co/ |
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openAccess |
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application/pdf |
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Institute of Physics Publishing (IOP) |
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Grupo de Física Atómica y Molecular |
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Reino Unido |
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Universidad de Antioquia |
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Cardona Gómez, Juan CarlosSanz Vicario, José Luis2017-09-27T21:54:02Z2017-09-27T21:54:02Z2009Cardona Gómez, J. C., & Sanz Vicario, J. L. (2009). Computation of resonant states using explicitly correlated coordinates in Be-like atomic systems. Journal of Physics: Conference Series, 94(152019), 1. DOI:10.1088/1742-6596/194/15/1520191742-6588http://hdl.handle.net/10495/838110.1088/1742-6596/194/15/1520191742-6596ABSTRACT: We present an efficient computational method to obtain accurate values for energy positions and widths of autoionizing states in Be-like atomic systems. The two-active (outer) electron wavefunction is expanded in terms of Hylleraas-type correlated configurations. The interaction with the 1s2 frozen core is represented through a model potential and the unphysical 1sn` series of virtual core states are removed by using a Phillips-Kleinman pseudopotential projector. A novel feature is that all matrix elements can be written in closed form. We illustrate the performance of our approach in computing doubly-excited states in Be and Ne6+ by using the stabilization method.application/pdfengInstitute of Physics Publishing (IOP)Grupo de Física Atómica y MolecularReino Unidoinfo:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_2df8fbb1https://purl.org/redcol/resource_type/ARTArtículo de investigaciónhttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/version/c_71e4c1898caa6e32Atribución-NoComercial-SinDerivadas 2.5 Colombiainfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/2.5/co/http://purl.org/coar/access_right/c_abf2https://creativecommons.org/licenses/by-nc-nd/4.0/Cálculo de estados resonantesSistemas atómicos de tipo BeComputation of resonant states using explicitly correlated coordinates in Be-like atomic systemsJournal of Physics: Conference Series1194152019CC-LICENSElicense_urllicense_urlArtículo de investigacióntext/plain; charset=utf-849http://bibliotecadigital.udea.edu.co/bitstream/10495/8381/2/license_url4afdbb8c545fd630ea7db775da747b2fMD52license_textlicense_texttext/html; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/8381/3/license_textd41d8cd98f00b204e9800998ecf8427eMD53license_rdflicense_rdfapplication/rdf+xml; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/8381/4/license_rdfd41d8cd98f00b204e9800998ecf8427eMD54LICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://bibliotecadigital.udea.edu.co/bitstream/10495/8381/5/license.txt8a4605be74aa9ea9d79846c1fba20a33MD55ORIGINALSanzJose_2009_ComputationResonantStates.pdfSanzJose_2009_ComputationResonantStates.pdfArtículo de investigaciónapplication/pdf424399http://bibliotecadigital.udea.edu.co/bitstream/10495/8381/1/SanzJose_2009_ComputationResonantStates.pdfa6be1206e581b405e2c0836a3cdc0f10MD5110495/8381oai:bibliotecadigital.udea.edu.co:10495/83812021-05-16 11:47:11.343Repositorio Institucional Universidad de Antioquiaandres.perez@udea.edu.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 |