Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method
RESUMEN: Los estados doble y triplemente excitados de sistemas trielectrónicos, constituyen un problema coulombiano de cuatro cuerpos, el cual es altamente correlacionado. Para su tratamiento hemos desarrollado un programa de Interacción de Configuraciones (CI) basado en funciones de Hylleraas ( ´ H...
- Autores:
-
Cardona Gómez, Juan Carlos
Sanz Vicario, Jose Luis
Lindroth, Eva
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2009
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- spa
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/24203
- Acceso en línea:
- http://hdl.handle.net/10495/24203
- Palabra clave:
- Coordenadas correlacionadas
Estados resonantes
- Rights
- openAccess
- License
- http://creativecommons.org/licenses/by/2.5/co/
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| dc.title.spa.fl_str_mv |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| dc.title.alternative.spa.fl_str_mv |
Calculo exacto de los Estados de resonancia de electrones de los átomos de tres sistemas : una Escalada compleja Hylleraas CI Method |
| title |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| spellingShingle |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method Coordenadas correlacionadas Estados resonantes |
| title_short |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| title_full |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| title_fullStr |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| title_full_unstemmed |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| title_sort |
Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI Method |
| dc.creator.fl_str_mv |
Cardona Gómez, Juan Carlos Sanz Vicario, Jose Luis Lindroth, Eva |
| dc.contributor.author.none.fl_str_mv |
Cardona Gómez, Juan Carlos Sanz Vicario, Jose Luis Lindroth, Eva |
| dc.subject.proposal.spa.fl_str_mv |
Coordenadas correlacionadas Estados resonantes |
| topic |
Coordenadas correlacionadas Estados resonantes |
| description |
RESUMEN: Los estados doble y triplemente excitados de sistemas trielectrónicos, constituyen un problema coulombiano de cuatro cuerpos, el cual es altamente correlacionado. Para su tratamiento hemos desarrollado un programa de Interacción de Configuraciones (CI) basado en funciones de Hylleraas ( ´ Hy), para momento angular y de espín arbitrarios. El computo de resonancias se ha implementado mediante un escalado complejo uniforme (UCS). Nuestro código nos permite calcular estados resonantes del ion negativo del Helio con la mayor precision posible. |
| publishDate |
2009 |
| dc.date.issued.none.fl_str_mv |
2009 |
| dc.date.accessioned.none.fl_str_mv |
2021-11-18T16:38:52Z |
| dc.date.available.none.fl_str_mv |
2021-11-18T16:38:52Z |
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info:eu-repo/semantics/article |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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https://purl.org/redcol/resource_type/ART |
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Artículo de investigación |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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publishedVersion |
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0120-2650 |
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http://hdl.handle.net/10495/24203 |
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0120-2650 |
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http://hdl.handle.net/10495/24203 |
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spa |
| language |
spa |
| dc.relation.ispartofjournalabbrev.spa.fl_str_mv |
Rev. colomb. fis. |
| dc.rights.spa.fl_str_mv |
info:eu-repo/semantics/openAccess |
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http://creativecommons.org/licenses/by/2.5/co/ |
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openAccess |
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http://creativecommons.org/licenses/by/2.5/co/ http://purl.org/coar/access_right/c_abf2 https://creativecommons.org/licenses/by/4.0/ |
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4 |
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| dc.publisher.spa.fl_str_mv |
Sociedad Colombiana de Física |
| dc.publisher.group.spa.fl_str_mv |
Grupo de Física Atómica y Molecular |
| dc.publisher.place.spa.fl_str_mv |
Bogotá, Colombia |
| institution |
Universidad de Antioquia |
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andres.perez@udea.edu.co |
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Cardona Gómez, Juan CarlosSanz Vicario, Jose LuisLindroth, Eva2021-11-18T16:38:52Z2021-11-18T16:38:52Z20090120-2650http://hdl.handle.net/10495/24203RESUMEN: Los estados doble y triplemente excitados de sistemas trielectrónicos, constituyen un problema coulombiano de cuatro cuerpos, el cual es altamente correlacionado. Para su tratamiento hemos desarrollado un programa de Interacción de Configuraciones (CI) basado en funciones de Hylleraas ( ´ Hy), para momento angular y de espín arbitrarios. El computo de resonancias se ha implementado mediante un escalado complejo uniforme (UCS). Nuestro código nos permite calcular estados resonantes del ion negativo del Helio con la mayor precision posible.ABSTRACT: Doubly and triply excited states of three-electron systems provide the case for a highly correlated fourbody Coulomb problem. We have developed a sophisticated three-electron Configuration Interaction (CI) code based on explicitely correlated Hylleraas (Hy) functions for arbitrary total angular momentum and spin, which has been implemented with an uniform complex scaling (UCS) method to deal with resonant states. At present, this UCS-HyCI tool allows us to perform computations to uncover resonant states of the Helium negative ion, with the highest accuracy possibleCOL00084414application/pdfspaSociedad Colombiana de FísicaGrupo de Física Atómica y MolecularBogotá, Colombiainfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_2df8fbb1https://purl.org/redcol/resource_type/ARTArtículo de investigaciónhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/co/http://purl.org/coar/access_right/c_abf2https://creativecommons.org/licenses/by/4.0/Accurate Computation of Resonant States of Three-Electron Atomic Systems : A Complex Scaled Hylleraas CI MethodCalculo exacto de los Estados de resonancia de electrones de los átomos de tres sistemas : una Escalada compleja Hylleraas CI MethodCoordenadas correlacionadasEstados resonantesRev. colomb. fis.Revista Colombiana de Física223226413ORIGINALCardonaJuan_2009_AccurateComputationResonant.pdfCardonaJuan_2009_AccurateComputationResonant.pdfArtículo de investigaciónapplication/pdf257754http://bibliotecadigital.udea.edu.co/bitstream/10495/24203/1/CardonaJuan_2009_AccurateComputationResonant.pdf74bcb6d88fc4a27103e20a064af3dd29MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8927http://bibliotecadigital.udea.edu.co/bitstream/10495/24203/2/license_rdf1646d1f6b96dbbbc38035efc9239ac9cMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://bibliotecadigital.udea.edu.co/bitstream/10495/24203/3/license.txt8a4605be74aa9ea9d79846c1fba20a33MD5310495/24203oai:bibliotecadigital.udea.edu.co:10495/242032021-11-18 11:38:53.128Repositorio Institucional Universidad de Antioquiaandres.perez@udea.edu.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 |