Elastic scattering of low-energy electrons by N2 including the effect of target electronic correlation
Autor(a) principal: | |
---|---|
Data de Publicação: | 2006 |
Outros Autores: | , , |
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 |
id |
UFBA-2_4977b6aa61bd516bdfcf0d3f001fb6bf |
---|---|
oai_identifier_str |
oai:repositorio.ufba.br:ri/13805 |
network_acronym_str |
UFBA-2 |
network_name_str |
Repositório Institucional da UFBA |
repository_id_str |
1932 |
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:ri/13805VGVybW8gZGUgTGljZW7vv71hLCBu77+9byBleGNsdXNpdm8sIHBhcmEgbyBkZXDvv71zaXRvIG5vIHJlcG9zaXTvv71yaW8gSW5zdGl0dWNpb25hbCBkYSBVRkJBCgogICAgUGVsbyBwcm9jZXNzbyBkZSBzdWJtaXNz77+9byBkZSBkb2N1bWVudG9zLCBvIGF1dG9yIG91IHNldQpyZXByZXNlbnRhbnRlIGxlZ2FsLCBhbyBhY2VpdGFyIGVzc2UgdGVybW8gZGUgbGljZW7vv71hLCBjb25jZWRlIGFvClJlcG9zaXTvv71yaW8gSW5zdGl0dWNpb25hbCBkYSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkYSBCYWhpYSBvIGRpcmVpdG8KZGUgbWFudGVyIHVtYSBj77+9cGlhIGVtIHNldSByZXBvc2l077+9cmlvIGNvbSBhIGZpbmFsaWRhZGUsIHByaW1laXJhLCAKZGUgcHJlc2VydmHvv73vv71vLiBFc3NlcyB0ZXJtb3MsIG7vv71vIGV4Y2x1c2l2b3MsIG1hbnTvv71tIG9zIGRpcmVpdG9zIGRlIAphdXRvci9jb3B5cmlnaHQsIG1hcyBlbnRlbmRlIG8gZG9jdW1lbnRvIGNvbW8gcGFydGUgZG8gYWNlcnZvIGludGVsZWN0dWFsIGRlc3NhIFVuaXZlcnNpZGFkZS4gCgogICAgUGFyYSBvcyBkb2N1bWVudG9zIHB1YmxpY2Fkb3MgY29tIHJlcGFzc2UgZGUgZGlyZWl0b3MgZGUgZGlzdHJpYnVp77+977+9bywgZXNzZSB0ZXJtbyBkZSBsaWNlbu+/vWEgZW50ZW5kZSBxdWU6IAoKICAgIE1hbnRlbmRvIG9zICBkaXJlaXRvcyBhdXRvcmFpcywgcmVwYXNzYWRvcyBhIHRlcmNlaXJvcywgZW0gY2FzbyAKZGUgcHVibGljYe+/ve+/vWVzLCBvIHJlcG9zaXTvv71yaW8gcG9kZSByZXN0cmluZ2lyIG8gYWNlc3NvIGFvIHRleHRvIAppbnRlZ3JhbCwgbWFzIGxpYmVyYSBhcyBpbmZvcm1h77+977+9ZXMgc29icmUgbyBkb2N1bWVudG8gKE1ldGFkYWRvcyBkZXNjcml0aXZvcykuCgogRGVzdGEgZm9ybWEsIGF0ZW5kZW5kbyBhb3MgYW5zZWlvcyBkZXNzYSB1bml2ZXJzaWRhZGUgCmVtIG1hbnRlciBzdWEgcHJvZHXvv73vv71vIGNpZW5077+9ZmljYSBjb20gYXMgcmVzdHJp77+977+9ZXMgaW1wb3N0YXMgcGVsb3MgCmVkaXRvcmVzIGRlIHBlcmnvv71kaWNvcy4gCgogICAgUGFyYSBhcyBwdWJsaWNh77+977+9ZXMgZW0gaW5pY2lhdGl2YXMgcXVlIHNlZ3VlbSBhIHBvbO+/vXRpY2EgZGUgCkFjZXNzbyBBYmVydG8sIG9zIGRlcO+/vXNpdG9zIGNvbXB1bHPvv71yaW9zIG5lc3NlIHJlcG9zaXTvv71yaW8gbWFudO+/vW0gCm9zIGRpcmVpdG9zIGF1dG9yYWlzLCBtYXMgbWFudO+/vW0gbyBhY2Vzc28gaXJyZXN0cml0byBhbyBtZXRhZGFkb3MgCmUgdGV4dG8gY29tcGxldG8uIEFzc2ltLCBhIGFjZWl0Ye+/ve+/vW8gZGVzc2UgdGVybW8gbu+/vW8gbmVjZXNzaXRhIGRlIApjb25zZW50aW1lbnRvIHBvciBwYXJ0ZSBkZSBhdXRvcmVzL2RldGVudG9yZXMgZG9zIGRpcmVpdG9zLCBwb3IgCmVzdGFyZW0gZW0gaW5pY2lhdGl2YXMgZGUgYWNlc3NvIGFiZXJ0by4KCiAgICBFbSBhbWJvcyBvIGNhc28sIGVzc2UgdGVybW8gZGUgbGljZW7vv71hLCBwb2RlIHNlciBhY2VpdG8gcGVsbyAKYXV0b3IsIGRldGVudG9yZXMgZGUgZGlyZWl0b3MgZS9vdSB0ZXJjZWlyb3MgYW1wYXJhZG9zIHBlbGEgCnVuaXZlcnNpZGFkZS4gRGV2aWRvIGFvcyBkaWZlcmVudGVzIHByb2Nlc3NvcyBwZWxvIHF1YWwgYSBzdWJtaXNz77+9byAKcG9kZSBvY29ycmVyLCBvIHJlcG9zaXTvv71yaW8gcGVybWl0ZSBhIGFjZWl0Ye+/ve+/vW8gZGEgbGljZW7vv71hIHBvciAKdGVyY2Vpcm9zLCBzb21lbnRlIG5vcyBjYXNvcyBkZSBkb2N1bWVudG9zIHByb2R1emlkb3MgcG9yIGludGVncmFudGVzIApkYSBVRkJBIGUgc3VibWV0aWRvcyBwb3IgcGVzc29hcyBhbXBhcmFkYXMgcG9yIGVzdGEgaW5zdGl0dWnvv73vv71vLgo=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 |
eu_rights_str_mv |
openAccess |
dc.source.pt_BR.fl_str_mv |
http://dx.doi.org.ez10.periodicos.capes.gov.br/10.1016/j.chemphys.2005.07.017 |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFBA instname:Universidade Federal da Bahia (UFBA) instacron:UFBA |
instname_str |
Universidade Federal da Bahia (UFBA) |
instacron_str |
UFBA |
institution |
UFBA |
reponame_str |
Repositório Institucional da UFBA |
collection |
Repositório Institucional da UFBA |
bitstream.url.fl_str_mv |
https://repositorio.ufba.br/bitstream/ri/13805/2/license.txt https://repositorio.ufba.br/bitstream/ri/13805/1/1-s2.0-S0301010405003010-main.pdf https://repositorio.ufba.br/bitstream/ri/13805/3/1-s2.0-S0301010405003010-main.pdf.txt |
bitstream.checksum.fl_str_mv |
1b89a9a0548218172d7c829f87a0eab9 13fd34a2037683b8ea8167fd475e6986 cf24c83385eb25dbaefee71deb0c125d |
bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 MD5 |
repository.name.fl_str_mv |
Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA) |
repository.mail.fl_str_mv |
|
_version_ |
1808459457935441920 |