Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule

Detalhes bibliográficos
Autor(a) principal: Bitencourt, Ana Carla Peixoto
Data de Publicação: 2007
Outros Autores: Prudente, Frederico Vasconcellos, Vianna, José David M.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://repositorio.ufba.br/ri/handle/ri/15939
Resumo: Texto completo: acesso restrito. p. 2075-2090
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spelling Bitencourt, Ana Carla PeixotoPrudente, Frederico VasconcellosVianna, José David M.Bitencourt, Ana Carla PeixotoPrudente, Frederico VasconcellosVianna, José David M.2014-09-09T15:35:48Z20070953-4075http://repositorio.ufba.br/ri/handle/ri/15939v. 40, n. 11Texto completo: acesso restrito. p. 2075-2090We propose a new numerically optimized discrete variable representation using eigenstates of diabatic Hamiltonians. This procedure provides an efficient method to solve non-adiabatic coupling problems since the generated basis sets take into account information on the diabatic potentials. The method is applied to the B1Σ+ − D'1Σ+ Rydberg-valence predissociation interaction in the CO molecule. Here we give an account of the discrete variable representation and present the procedure for the calculation of its optimized version, which we apply to obtain the total photodissociation cross sections of the CO molecule.Submitted by Suelen Reis (suziy.ellen@gmail.com) on 2014-01-22T15:41:00Z No. of bitstreams: 1 0953-4075_40_11_010.pdf: 1048576 bytes, checksum: fcfd3b0c9d9bc872219ef8df9a8e178e (MD5)Approved for entry into archive by Rodrigo Meirelles (rodrigomei@ufba.br) on 2014-09-09T15:35:48Z (GMT) No. of bitstreams: 1 0953-4075_40_11_010.pdf: 1048576 bytes, checksum: fcfd3b0c9d9bc872219ef8df9a8e178e (MD5)Made available in DSpace on 2014-09-09T15:35:48Z (GMT). No. of bitstreams: 1 0953-4075_40_11_010.pdf: 1048576 bytes, checksum: fcfd3b0c9d9bc872219ef8df9a8e178e (MD5) Previous issue date: 2007http://dx.doi.org/10.1088/0953-4075/40/11/010reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBADiabatic potential-optimized discrete variable representation: application to photodissociation process of the CO moleculeJournal of Physics B: Atomic, Molecular and Optical Physicsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01info:eu-repo/semantics/openAccessengORIGINAL0953-4075_40_11_010.pdf0953-4075_40_11_010.pdfapplication/pdf1048576https://repositorio.ufba.br/bitstream/ri/15939/1/0953-4075_40_11_010.pdffcfd3b0c9d9bc872219ef8df9a8e178eMD51LICENSElicense.txtlicense.txttext/plain1345https://repositorio.ufba.br/bitstream/ri/15939/2/license.txtff6eaa8b858ea317fded99f125f5fcd0MD52TEXT0953-4075_40_11_010.pdf.txt0953-4075_40_11_010.pdf.txtExtracted texttext/plain43164https://repositorio.ufba.br/bitstream/ri/15939/3/0953-4075_40_11_010.pdf.txt69d4e652a3a70fcd81928ac168d304aaMD53ri/159392022-07-05 14:03:49.186oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:49Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
dc.title.alternative.pt_BR.fl_str_mv Journal of Physics B: Atomic, Molecular and Optical Physics
title Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
spellingShingle Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
Bitencourt, Ana Carla Peixoto
title_short Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
title_full Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
title_fullStr Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
title_full_unstemmed Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
title_sort Diabatic potential-optimized discrete variable representation: application to photodissociation process of the CO molecule
author Bitencourt, Ana Carla Peixoto
author_facet Bitencourt, Ana Carla Peixoto
Prudente, Frederico Vasconcellos
Vianna, José David M.
author_role author
author2 Prudente, Frederico Vasconcellos
Vianna, José David M.
author2_role author
author
dc.contributor.author.fl_str_mv Bitencourt, Ana Carla Peixoto
Prudente, Frederico Vasconcellos
Vianna, José David M.
Bitencourt, Ana Carla Peixoto
Prudente, Frederico Vasconcellos
Vianna, José David M.
description Texto completo: acesso restrito. p. 2075-2090
publishDate 2007
dc.date.issued.fl_str_mv 2007
dc.date.accessioned.fl_str_mv 2014-09-09T15:35:48Z
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/15939
dc.identifier.issn.none.fl_str_mv 0953-4075
dc.identifier.number.pt_BR.fl_str_mv v. 40, n. 11
identifier_str_mv 0953-4075
v. 40, n. 11
url http://repositorio.ufba.br/ri/handle/ri/15939
dc.language.iso.fl_str_mv eng
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