Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation

Detalhes bibliográficos
Autor(a) principal: Martins, M. G. R.
Data de Publicação: 2006
Outros Autores: Machado, L. E., Maniero, A. M., Vianna, J. D. M.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://repositorio.ufba.br/ri/handle/ri/13805
Resumo: Texto completo: acesso restrito. p. 239–246
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spelling Martins, M. G. R.Machado, L. E.Maniero, A. M.Vianna, J. D. M.Martins, M. G. R.Machado, L. E.Maniero, A. M.Vianna, J. D. M.2013-11-19T20:52:46Z20060301-0104http://repositorio.ufba.br/ri/handle/ri/13805v. 320, n. 2-3Texto completo: acesso restrito. p. 239–246A procedure to use configuration-interaction (CI) target wave-functions in the electron–molecule collision theory is applied to study the elastic e−–N2 scattering in the (5–20) eV incident energy range. Correlated static and exchange contributions to the interaction potential are presented. Two different atomic basis sets are used. Differential cross sections (DCS) obtained by using Hartree–Fock or CI wave-functions are presented and compared. In the CI case, single and double, and single, double and triple excitations are considered. The effect of electron correlation is analyzed in all the cases. The continuum wave-functions were obtained via the Schwinger variational iterative method. The influence on the DCS of both the size of the atomic basis set and the inclusion of higher-order excitations in the CI calculation is discussed.Submitted by Edileide Reis (leyde-landy@hotmail.com) on 2013-09-04T14:02:42Z No. of bitstreams: 1 1-s2.0-S0301010405003010-main.pdf: 248513 bytes, checksum: 13fd34a2037683b8ea8167fd475e6986 (MD5)Approved for entry into archive by Rodrigo Meirelles (rodrigomei@ufba.br) on 2013-11-19T20:52:46Z (GMT) No. of bitstreams: 1 1-s2.0-S0301010405003010-main.pdf: 248513 bytes, checksum: 13fd34a2037683b8ea8167fd475e6986 (MD5)Made available in DSpace on 2013-11-19T20:52:46Z (GMT). No. of bitstreams: 1 1-s2.0-S0301010405003010-main.pdf: 248513 bytes, checksum: 13fd34a2037683b8ea8167fd475e6986 (MD5) Previous issue date: 2006http://dx.doi.org.ez10.periodicos.capes.gov.br/10.1016/j.chemphys.2005.07.017reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAConfiguration-interactionElastic scatteringDifferential cross sectionElastic scattering of low-energy electrons by N2 including the effect of target electronic correlationChemical Physicsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01info:eu-repo/semantics/openAccessengLICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/13805/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52ORIGINAL1-s2.0-S0301010405003010-main.pdf1-s2.0-S0301010405003010-main.pdfapplication/pdf248513https://repositorio.ufba.br/bitstream/ri/13805/1/1-s2.0-S0301010405003010-main.pdf13fd34a2037683b8ea8167fd475e6986MD51TEXT1-s2.0-S0301010405003010-main.pdf.txt1-s2.0-S0301010405003010-main.pdf.txtExtracted texttext/plain36550https://repositorio.ufba.br/bitstream/ri/13805/3/1-s2.0-S0301010405003010-main.pdf.txtcf24c83385eb25dbaefee71deb0c125dMD53ri/138052022-07-05 14:03:47.833oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:47Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
dc.title.alternative.pt_BR.fl_str_mv Chemical Physics
title Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
spellingShingle Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
Martins, M. G. R.
Configuration-interaction
Elastic scattering
Differential cross section
title_short Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
title_full Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
title_fullStr Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
title_full_unstemmed Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
title_sort Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
author Martins, M. G. R.
author_facet Martins, M. G. R.
Machado, L. E.
Maniero, A. M.
Vianna, J. D. M.
author_role author
author2 Machado, L. E.
Maniero, A. M.
Vianna, J. D. M.
author2_role author
author
author
dc.contributor.author.fl_str_mv Martins, M. G. R.
Machado, L. E.
Maniero, A. M.
Vianna, J. D. M.
Martins, M. G. R.
Machado, L. E.
Maniero, A. M.
Vianna, J. D. M.
dc.subject.por.fl_str_mv Configuration-interaction
Elastic scattering
Differential cross section
topic Configuration-interaction
Elastic scattering
Differential cross section
description Texto completo: acesso restrito. p. 239–246
publishDate 2006
dc.date.issued.fl_str_mv 2006
dc.date.accessioned.fl_str_mv 2013-11-19T20:52:46Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://repositorio.ufba.br/ri/handle/ri/13805
dc.identifier.issn.none.fl_str_mv 0301-0104
dc.identifier.number.pt_BR.fl_str_mv v. 320, n. 2-3
identifier_str_mv 0301-0104
v. 320, n. 2-3
url http://repositorio.ufba.br/ri/handle/ri/13805
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.source.pt_BR.fl_str_mv http://dx.doi.org.ez10.periodicos.capes.gov.br/10.1016/j.chemphys.2005.07.017
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