Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties

Initial convergence of the perturbation series expansion for vibrational nonlinear optical (NLO) properties was analyzed. The zero-point vibrational average (ZPVA) was obtained through first-order in mechanical plus electrical anharmonicity. Results indicated that higher-order terms in electrical an...

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Detalles Bibliográficos
Autores: Torrent Sucarrat, Miquel, Solà i Puig, Miquel, Duran i Portas, Miquel, Luis Luis, Josep Maria, Kirtman, Bernard
Tipo de recurso: artículo
Fecha de publicación:2002
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/3314
Acceso en línea:http://hdl.handle.net/10256/3314
Access Level:acceso abierto
Palabra clave:Aproximació, Teoria de l'
Camps elèctrics
Molècules
Òptica no lineal
Pertorbació (Matemàtica)
Polarització (Electricitat)
Approximation theory
Electric fields
Nonlinear optics
Perturbation (Mathematics)
Polarization (Electricity)
Molecules
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spelling Initial convergence of the perturbation series expansion for vibrational nonlinear optical propertiesTorrent Sucarrat, MiquelSolà i Puig, MiquelDuran i Portas, MiquelLuis Luis, Josep MariaKirtman, BernardAproximació, Teoria de l'Camps elèctricsMolèculesÒptica no linealPertorbació (Matemàtica)Polarització (Electricitat)Approximation theoryElectric fieldsNonlinear opticsPerturbation (Mathematics)Polarization (Electricity)MoleculesInitial convergence of the perturbation series expansion for vibrational nonlinear optical (NLO) properties was analyzed. The zero-point vibrational average (ZPVA) was obtained through first-order in mechanical plus electrical anharmonicity. Results indicated that higher-order terms in electrical and mechanical anharmonicity can make substantial contributions to the pure vibrational polarizibility of typical NLO moleculesAmerican Institute of Physics2002info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10256/3314http://hdl.handle.net/10256/3314© Journal of Chemical Physics, 2002, vol. 116, p. 5363-5373Articles publicats (D-Q)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)Inglésinfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.1453953info:eu-repo/semantics/altIdentifier/issn/0021-9606info:eu-repo/semantics/altIdentifier/eissn/1089-7690Tots els drets reservatsinfo:eu-repo/semantics/openAccessoai:recercat.cat:10256/33142026-05-29T05:05:01Z
dc.title.none.fl_str_mv Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
title Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
spellingShingle Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
Torrent Sucarrat, Miquel
Aproximació, Teoria de l'
Camps elèctrics
Molècules
Òptica no lineal
Pertorbació (Matemàtica)
Polarització (Electricitat)
Approximation theory
Electric fields
Nonlinear optics
Perturbation (Mathematics)
Polarization (Electricity)
Molecules
title_short Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
title_full Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
title_fullStr Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
title_full_unstemmed Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
title_sort Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
dc.creator.none.fl_str_mv Torrent Sucarrat, Miquel
Solà i Puig, Miquel
Duran i Portas, Miquel
Luis Luis, Josep Maria
Kirtman, Bernard
author Torrent Sucarrat, Miquel
author_facet Torrent Sucarrat, Miquel
Solà i Puig, Miquel
Duran i Portas, Miquel
Luis Luis, Josep Maria
Kirtman, Bernard
author_role author
author2 Solà i Puig, Miquel
Duran i Portas, Miquel
Luis Luis, Josep Maria
Kirtman, Bernard
author2_role author
author
author
author
dc.subject.none.fl_str_mv Aproximació, Teoria de l'
Camps elèctrics
Molècules
Òptica no lineal
Pertorbació (Matemàtica)
Polarització (Electricitat)
Approximation theory
Electric fields
Nonlinear optics
Perturbation (Mathematics)
Polarization (Electricity)
Molecules
topic Aproximació, Teoria de l'
Camps elèctrics
Molècules
Òptica no lineal
Pertorbació (Matemàtica)
Polarització (Electricitat)
Approximation theory
Electric fields
Nonlinear optics
Perturbation (Mathematics)
Polarization (Electricity)
Molecules
description Initial convergence of the perturbation series expansion for vibrational nonlinear optical (NLO) properties was analyzed. The zero-point vibrational average (ZPVA) was obtained through first-order in mechanical plus electrical anharmonicity. Results indicated that higher-order terms in electrical and mechanical anharmonicity can make substantial contributions to the pure vibrational polarizibility of typical NLO molecules
publishDate 2002
dc.date.none.fl_str_mv 2002
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10256/3314
http://hdl.handle.net/10256/3314
url http://hdl.handle.net/10256/3314
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.1453953
info:eu-repo/semantics/altIdentifier/issn/0021-9606
info:eu-repo/semantics/altIdentifier/eissn/1089-7690
dc.rights.none.fl_str_mv Tots els drets reservats
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Tots els drets reservats
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv © Journal of Chemical Physics, 2002, vol. 116, p. 5363-5373
Articles publicats (D-Q)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.812455

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