Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3

Inicio | ¿Qué es? | Contacto

English | Català

Consultar RECERCAT

Por comunidades y
colecciones Por fecha Por autores Por títulos Por temas (CDU)

Consultar departamento

Por fecha Por autores Por títulos Por temas (CDU)

Estadisticas

Del documento Todo RECERCAT

Mi RECERCAT

Entrar Alertas por correo-e

Directorio de otros repositorios

RECERCAT Principal > Universitat de Girona > Documents de recerca > Visualizar documento

Para acceder a los documentos con el texto completo, por favor, siga el siguiente enlace: http://hdl.handle.net/10256/3243

dc.contributor.author	Luis Luis, Josep Maria
dc.contributor.author	Reis, Heribert C.
dc.contributor.author	Papadopoulos, Manthos G.
dc.contributor.author	Kirtman, Bernard
dc.date	2009
dc.date.accessioned	2011-02-15T16:27:31Z
dc.date.available	2011-02-15T16:27:31Z
dc.date.issued	2011-02-15T16:27:31Z
dc.identifier.citation	Luis, J.M., Reis, H., Papadopoulos, M., i Kirtman, B. (2009). Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3. Journal of Chemical Physics, 131 (3), 034116. Recuperat 11 febrer 2011, a http://link.aip.org/link/doi/10.1063/1.3171615
dc.identifier.citation	0021-9606 (versió paper)
dc.identifier.citation	1089-7690 (versió electrònica)
dc.identifier.uri	http://hdl.handle.net/10256/3243
dc.format	application/pdf
dc.language.iso	eng
dc.publisher	American Institute of Physics
dc.relation	http://dx.doi.org/10.1063/1.3171615
dc.relation	© Journal of Chemical Physics, 2009, vol. 131, núm. 3
dc.relation	Articles publicats (D-Q)
dc.rights	Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics
dc.subject	Amoníac
dc.subject	Dinàmica molecular
dc.subject	Molècules
dc.subject	Òptica no lineal
dc.subject	Ammonia
dc.subject	Molecules
dc.subject	Molecular dynamics
dc.subject	Nonlinear optics
dc.title	Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3
dc.type	info:eu-repo/semantics/article
dc.description.abstract	A general reduced dimensionality finite field nuclear relaxation method for calculating vibrational nonlinear optical properties of molecules with large contributions due to anharmonic motions is introduced. In an initial application to the umbrella (inversion) motion of NH3 it is found that difficulties associated with a conventional single well treatment are overcome and that the particular definition of the inversion coordinate is not important. Future applications are described

Mostrar el registro sencillo del ítem

Documentos relacionados

Otros documentos del mismo autor/a

Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene

Zaleśny, Robert; Bulik, Ireneusz W.; Bartkowiak, Wojciech; Luis Luis, Josep Maria; Avramopoulos, Aggelos; Papadopoulos, Manthos G.; Krawczyk, Przemyslaw

Vibration and two-photon absorption (Fecha de creación: 15-02-2011)

Bishop, David M.; Luis Luis, Josep Maria; Kirtman, Bernard

Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities (Fecha de creación: 15-02-2011)

Bishop, David M.; Luis Luis, Josep Maria; Kirtman, Bernard

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers (Fecha de creación: 15-02-2011)

Champagne, Benoît; Luis Luis, Josep Maria; Duran i Portas, Miquel; Andrés, José Luís; Kirtman, Bernard

Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing (Fecha de creación: 15-02-2011)

Kirtman, Bernard; Luis Luis, Josep Maria

Accesibilidad | Aviso legal | Política de Cookies | Documentos de uso interno

Coordinación

Patrocinio