Bifurcations of the normal modes of the Ne...Br2 complex
ABSTRACT: We study the classical dynamics of the rare gas-dihalogen Ne· · ·Br2 complex in its ground electronic state. By considering the dihalogen bond frozen at its equilibrium distance, the system has two degrees of freedom and its potential energy surface presents linear and T-shape isomers. We...
- Autores:
-
Mahecha Gómez, Jorge Eduardo
Salas, Juan Pablo
Iñarrea, Manuel
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2009
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- eng
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/13305
- Acceso en línea:
- http://hdl.handle.net/10495/13305
- Palabra clave:
- Bifurcations
Br2 complex
Orthogonal Fast Lyapunov Indicator (OFLI)
Potential energy surface
- Rights
- openAccess
- License
- Atribución-NoComercial-SinDerivadas 2.5 Colombia
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Bifurcations of the normal modes of the Ne...Br2 complex |
| title |
Bifurcations of the normal modes of the Ne...Br2 complex |
| spellingShingle |
Bifurcations of the normal modes of the Ne...Br2 complex Bifurcations Br2 complex Orthogonal Fast Lyapunov Indicator (OFLI) Potential energy surface |
| title_short |
Bifurcations of the normal modes of the Ne...Br2 complex |
| title_full |
Bifurcations of the normal modes of the Ne...Br2 complex |
| title_fullStr |
Bifurcations of the normal modes of the Ne...Br2 complex |
| title_full_unstemmed |
Bifurcations of the normal modes of the Ne...Br2 complex |
| title_sort |
Bifurcations of the normal modes of the Ne...Br2 complex |
| dc.creator.fl_str_mv |
Mahecha Gómez, Jorge Eduardo Salas, Juan Pablo Iñarrea, Manuel |
| dc.contributor.author.none.fl_str_mv |
Mahecha Gómez, Jorge Eduardo Salas, Juan Pablo Iñarrea, Manuel |
| dc.subject.none.fl_str_mv |
Bifurcations Br2 complex Orthogonal Fast Lyapunov Indicator (OFLI) Potential energy surface |
| topic |
Bifurcations Br2 complex Orthogonal Fast Lyapunov Indicator (OFLI) Potential energy surface |
| description |
ABSTRACT: We study the classical dynamics of the rare gas-dihalogen Ne· · ·Br2 complex in its ground electronic state. By considering the dihalogen bond frozen at its equilibrium distance, the system has two degrees of freedom and its potential energy surface presents linear and T-shape isomers. We find the nonlinear normal modes of both isomers that determine the phase space structure of the system. By means of surfaces of section and applying the numerical continuation of families of periodic orbits, we detect and identify the different bifurcations suffered by the normal modes as a function of the system energy. Finally, using the Orthogonal Fast Lyapunov Indicator (OFLI), we study the evolution of the fraction of the phase space volume occupied by regular motions. Keywords: Bifurcations, Br2 complex, Orthogonal Fast Lyapunov Indicator (OFLI), Potential energy surface. |
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2009 |
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2009 |
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2020-01-16T17:54:27Z |
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2020-01-16T17:54:27Z |
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info:eu-repo/semantics/article |
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http://purl.org/coar/version/c_970fb48d4fbd8a86 http://purl.org/coar/version/c_970fb48d4fbd8a85 |
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F. Blesa, J.E. Mahecha Gómez, J.P. Salas and M. Iñarrea, “Bifurcations of the normal modes of the Ne...Br2 complex” Phys. Lett. A., vol. 374, no. 2, pp. 191-201, 2009. http://dx.doi.org/10.1016/j.physleta.2009.10.050 |
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0375-9601 |
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http://hdl.handle.net/10495/13305 |
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10.1016/j.physleta.2009.10.050 |
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1873-2429 |
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F. Blesa, J.E. Mahecha Gómez, J.P. Salas and M. Iñarrea, “Bifurcations of the normal modes of the Ne...Br2 complex” Phys. Lett. A., vol. 374, no. 2, pp. 191-201, 2009. http://dx.doi.org/10.1016/j.physleta.2009.10.050 0375-9601 10.1016/j.physleta.2009.10.050 1873-2429 |
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http://hdl.handle.net/10495/13305 |
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eng |
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eng |
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Atribución-NoComercial-SinDerivadas 2.5 Colombia |
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info:eu-repo/semantics/openAccess |
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Elsevier |
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Holanda |
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Mahecha Gómez, Jorge EduardoSalas, Juan PabloIñarrea, Manuel2020-01-16T17:54:27Z2020-01-16T17:54:27Z2009F. Blesa, J.E. Mahecha Gómez, J.P. Salas and M. Iñarrea, “Bifurcations of the normal modes of the Ne...Br2 complex” Phys. Lett. A., vol. 374, no. 2, pp. 191-201, 2009. http://dx.doi.org/10.1016/j.physleta.2009.10.0500375-9601http://hdl.handle.net/10495/1330510.1016/j.physleta.2009.10.0501873-2429ABSTRACT: We study the classical dynamics of the rare gas-dihalogen Ne· · ·Br2 complex in its ground electronic state. By considering the dihalogen bond frozen at its equilibrium distance, the system has two degrees of freedom and its potential energy surface presents linear and T-shape isomers. We find the nonlinear normal modes of both isomers that determine the phase space structure of the system. By means of surfaces of section and applying the numerical continuation of families of periodic orbits, we detect and identify the different bifurcations suffered by the normal modes as a function of the system energy. Finally, using the Orthogonal Fast Lyapunov Indicator (OFLI), we study the evolution of the fraction of the phase space volume occupied by regular motions. Keywords: Bifurcations, Br2 complex, Orthogonal Fast Lyapunov Indicator (OFLI), Potential energy surface.10application/pdfengElsevierHolandainfo:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_2df8fbb1https://purl.org/redcol/resource_type/ARTArtículo de investigaciónhttp://purl.org/coar/version/c_970fb48d4fbd8a86http://purl.org/coar/version/c_970fb48d4fbd8a85Atribución-NoComercial-SinDerivadas 2.5 Colombiainfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/2.5/co/http://purl.org/coar/access_right/c_abf2https://creativecommons.org/licenses/by-nc-nd/4.0/BifurcationsBr2 complexOrthogonal Fast Lyapunov Indicator (OFLI)Potential energy surfaceBifurcations of the normal modes of the Ne...Br2 complexPhysics Letters A1912013742CC-LICENSElicense_urllicense_urltext/plain; charset=utf-849http://bibliotecadigital.udea.edu.co/bitstream/10495/13305/2/license_url4afdbb8c545fd630ea7db775da747b2fMD52license_textlicense_texttext/html; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/13305/3/license_textd41d8cd98f00b204e9800998ecf8427eMD53license_rdflicense_rdfapplication/rdf+xml; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/13305/4/license_rdfd41d8cd98f00b204e9800998ecf8427eMD54LICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://bibliotecadigital.udea.edu.co/bitstream/10495/13305/5/license.txt8a4605be74aa9ea9d79846c1fba20a33MD55ORIGINALMahechaJorge_2009_Bifurcationsnormalmodes.pdfMahechaJorge_2009_Bifurcationsnormalmodes.pdfArtículo de investigaciónapplication/pdf3233517http://bibliotecadigital.udea.edu.co/bitstream/10495/13305/1/MahechaJorge_2009_Bifurcationsnormalmodes.pdf8ea849e48fe9cd102cba0d96446f4832MD5110495/13305oai:bibliotecadigital.udea.edu.co:10495/133052021-06-12 15:19:51.512Repositorio Institucional Universidad de Antioquiaandres.perez@udea.edu.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 |