A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration

Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent,...

Descripción completa

Detalles Bibliográficos
Autores: Martí, Josep, Bishop, David M.
Tipo de recurso: artículo
Fecha de publicación:1993
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:10256/3279
Acceso en línea:http://hdl.handle.net/10256/3279
Access Level:acceso abierto
Palabra clave:Camps elèctrics
Molècules
Moments dipolars
Pertorbació (Matemàtica)
Polarització (Electricitat)
Electric fields
Molecules
Perturbation (Mathematics)
Polarization (Electricity)
id ES_89f87bc52de8aaa8b7893fa08af491d8
oai_identifier_str oai:recercat.cat:10256/3279
network_acronym_str ES
network_name_str España
repository_id_str
spelling A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibrationMartí, JosepBishop, David M.Camps elèctricsMolèculesMoments dipolarsPertorbació (Matemàtica)Polarització (Electricitat)Electric fieldsMoleculesPerturbation (Mathematics)Polarization (Electricity)Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent, is made by developing an algebraic formalism for the latter. Some of the higher-order terms in this development are documented here for the first time. As well as considering vibrational dipole polarizabilities and hyperpolarizabilities, we also make mention of the vibrational Stark effecAmerican Institute of Physics1993info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10256/3279http://hdl.handle.net/10256/3279© Journal of Chemical Physics, 1993, vol. 99, núm. 5, p. 3860-3864Articles 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/10.1063/1.466132info:eu-repo/semantics/altIdentifier/issn/0021-9606info:eu-repo/semantics/altIdentifier/eissn/1089-7690Tots els drets reservatsinfo:eu-repo/semantics/openAccessoai:recercat.cat:10256/32792026-05-29T05:05:01Z
dc.title.none.fl_str_mv A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
title A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
spellingShingle A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
Martí, Josep
Camps elèctrics
Molècules
Moments dipolars
Pertorbació (Matemàtica)
Polarització (Electricitat)
Electric fields
Molecules
Perturbation (Mathematics)
Polarization (Electricity)
title_short A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
title_full A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
title_fullStr A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
title_full_unstemmed A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
title_sort A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
dc.creator.none.fl_str_mv Martí, Josep
Bishop, David M.
author Martí, Josep
author_facet Martí, Josep
Bishop, David M.
author_role author
author2 Bishop, David M.
author2_role author
dc.subject.none.fl_str_mv Camps elèctrics
Molècules
Moments dipolars
Pertorbació (Matemàtica)
Polarització (Electricitat)
Electric fields
Molecules
Perturbation (Mathematics)
Polarization (Electricity)
topic Camps elèctrics
Molècules
Moments dipolars
Pertorbació (Matemàtica)
Polarització (Electricitat)
Electric fields
Molecules
Perturbation (Mathematics)
Polarization (Electricity)
description Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent, is made by developing an algebraic formalism for the latter. Some of the higher-order terms in this development are documented here for the first time. As well as considering vibrational dipole polarizabilities and hyperpolarizabilities, we also make mention of the vibrational Stark effec
publishDate 1993
dc.date.none.fl_str_mv 1993
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10256/3279
http://hdl.handle.net/10256/3279
url http://hdl.handle.net/10256/3279
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.466132
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, 1993, vol. 99, núm. 5, p. 3860-3864
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
_version_ 1869412666329530368
score 15,812455

Similares en LA Referencia