Symmetry projection of the rovibrational functions of methane

In this work we propose a symmetry projection approach to build a rovibrational basis for methane. In our method, symmetry adapted functions are obtained by simultaneous diagonalization of a set of commuting operators, whose representation is given in terms of direct products of Wigner’s D functions...

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Detalles Bibliográficos
Autores: Álvarez Bajo, Osiris, Lemus, R., Carvajal Zaera, Miguel, Pérez Bernal, Francisco
Tipo de recurso: artículo
Fecha de publicación:2010
País:España
Institución:Universidad de Huelva (UHU)
Repositorio:Arias Montano. Repositorio Institucional de la Universidad de Huelva
Idioma:inglés
OAI Identifier:oai:ariasmontano.uhu.es:10272/9782
Acceso en línea:http://hdl.handle.net/10272/9782
Access Level:acceso abierto
Palabra clave:Methane
Symmetry projection
Rovibrational functions
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spelling Symmetry projection of the rovibrational functions of methaneÁlvarez Bajo, OsirisLemus, R.Carvajal Zaera, MiguelPérez Bernal, FranciscoMethaneSymmetry projectionRovibrational functionsIn this work we propose a symmetry projection approach to build a rovibrational basis for methane. In our method, symmetry adapted functions are obtained by simultaneous diagonalization of a set of commuting operators, whose representation is given in terms of direct products of Wigner’s D functions and vibrational matrix representations provided by a local scheme. The proposed approach is general and permits to obtain in a systematic fashion an orthonormal set of symmetry-projected functions, with good total angular momentum, and carrying the irreducible representations of the molecular symmetry group.American Institute of Physics20102010-01-0120102010-01-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10272/9782reponame:Arias Montano. Repositorio Institucional de la Universidad de Huelvainstname:Universidad de Huelva (UHU)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Atribución-NoComercial-SinDerivadas 3.0 Españahttp://creativecommons.org/licenses/by-nc-nd/3.0/es/info:eu-repo/semantics/openAccessoai:ariasmontano.uhu.es:10272/97822026-06-02T14:58:11Z
dc.title.none.fl_str_mv Symmetry projection of the rovibrational functions of methane
title Symmetry projection of the rovibrational functions of methane
spellingShingle Symmetry projection of the rovibrational functions of methane
Álvarez Bajo, Osiris
Methane
Symmetry projection
Rovibrational functions
title_short Symmetry projection of the rovibrational functions of methane
title_full Symmetry projection of the rovibrational functions of methane
title_fullStr Symmetry projection of the rovibrational functions of methane
title_full_unstemmed Symmetry projection of the rovibrational functions of methane
title_sort Symmetry projection of the rovibrational functions of methane
dc.creator.none.fl_str_mv Álvarez Bajo, Osiris
Lemus, R.
Carvajal Zaera, Miguel
Pérez Bernal, Francisco
author Álvarez Bajo, Osiris
author_facet Álvarez Bajo, Osiris
Lemus, R.
Carvajal Zaera, Miguel
Pérez Bernal, Francisco
author_role author
author2 Lemus, R.
Carvajal Zaera, Miguel
Pérez Bernal, Francisco
author2_role author
author
author
dc.contributor.none.fl_str_mv
dc.subject.none.fl_str_mv Methane
Symmetry projection
Rovibrational functions
topic Methane
Symmetry projection
Rovibrational functions
description In this work we propose a symmetry projection approach to build a rovibrational basis for methane. In our method, symmetry adapted functions are obtained by simultaneous diagonalization of a set of commuting operators, whose representation is given in terms of direct products of Wigner’s D functions and vibrational matrix representations provided by a local scheme. The proposed approach is general and permits to obtain in a systematic fashion an orthonormal set of symmetry-projected functions, with good total angular momentum, and carrying the irreducible representations of the molecular symmetry group.
publishDate 2010
dc.date.none.fl_str_mv 2010
2010-01-01
2010
2010-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10272/9782
url http://hdl.handle.net/10272/9782
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Atribución-NoComercial-SinDerivadas 3.0 España
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Atribución-NoComercial-SinDerivadas 3.0 España
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
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 reponame:Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname:Universidad de Huelva (UHU)
instname_str Universidad de Huelva (UHU)
reponame_str Arias Montano. Repositorio Institucional de la Universidad de Huelva
collection Arias Montano. Repositorio Institucional de la Universidad de Huelva
repository.name.fl_str_mv
repository.mail.fl_str_mv
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