On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2000 |
| Outros Autores: | |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
| Texto Completo: | http://hdl.handle.net/10316/5252 https://doi.org/10.1016/S0009-2614(99)01275-0 |
Resumo: | 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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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:RCAAP2020-11-06T16:59:29ZPortal AgregadorONG |
| 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 |
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info:eu-repo/semantics/article |
| format |
article |
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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 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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aplication/PDF |
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reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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