On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system

Bibliographic Details
Main Author: Varandas, A. J. C.
Publication Date: 2000
Other Authors: Xu, Z. R.
Format: Article
Language: eng
Source: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Download full: http://hdl.handle.net/10316/5252
https://doi.org/10.1016/S0009-2614(99)01275-0
Summary: The behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection at the equilateral triangle conformations of homonuclear triatomic systems is examined analytically by using spherical coordinates which are obtained from the usual D3h normal mode ones. They are described by a set of three quantum numbers and shown to approach zero at the conical intersection, irrespective of whether the so-called geometric phase effects are taken into consideration.
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spelling On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 systemThe behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection at the equilateral triangle conformations of homonuclear triatomic systems is examined analytically by using spherical coordinates which are obtained from the usual D3h normal mode ones. They are described by a set of three quantum numbers and shown to approach zero at the conical intersection, irrespective of whether the so-called geometric phase effects are taken into consideration.http://www.sciencedirect.com/science/article/B6TFN-3YDG1J8-1W/1/cab91acd9c2be9ee7eb95263be5e86132000info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5252http://hdl.handle.net/10316/5252https://doi.org/10.1016/S0009-2614(99)01275-0engChemical Physics Letters. 316:3-4 (2000) 248-256Varandas, A. J. C.Xu, Z. R.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2020-11-06T16:59:29Zoai:estudogeral.uc.pt:10316/5252Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:23.176386Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
title On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
spellingShingle On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
Varandas, A. J. C.
title_short On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
title_full On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
title_fullStr On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
title_full_unstemmed On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
title_sort On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
author Varandas, A. J. C.
author_facet Varandas, A. J. C.
Xu, Z. R.
author_role author
author2 Xu, Z. R.
author2_role author
dc.contributor.author.fl_str_mv Varandas, A. J. C.
Xu, Z. R.
description The behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection at the equilateral triangle conformations of homonuclear triatomic systems is examined analytically by using spherical coordinates which are obtained from the usual D3h normal mode ones. They are described by a set of three quantum numbers and shown to approach zero at the conical intersection, irrespective of whether the so-called geometric phase effects are taken into consideration.
publishDate 2000
dc.date.none.fl_str_mv 2000
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://hdl.handle.net/10316/5252
http://hdl.handle.net/10316/5252
https://doi.org/10.1016/S0009-2614(99)01275-0
url http://hdl.handle.net/10316/5252
https://doi.org/10.1016/S0009-2614(99)01275-0
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Chemical Physics Letters. 316:3-4 (2000) 248-256
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv aplication/PDF
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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