Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties


Autoria(s): Torrent Sucarrat, Miquel; Solà i Puig, Miquel; Duran i Portas, Miquel; Luis Luis, Josep Maria; Kirtman, Bernard
Data(s)

2002

Resumo

Initial convergence of the perturbation series expansion for vibrational nonlinear optical (NLO) properties was analyzed. The zero-point vibrational average (ZPVA) was obtained through first-order in mechanical plus electrical anharmonicity. Results indicated that higher-order terms in electrical and mechanical anharmonicity can make substantial contributions to the pure vibrational polarizibility of typical NLO molecules

Formato

application/pdf

Identificador

Torrent-Sucarrat, M., Solà, M., Duran, M., Luis, J.M., i Kirtman, B. (2002). Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties. Journal of Chemical Physics, 116 (13), 5363-5373. Recuparat 28 març, a http://link.aip.org/link/doi/10.1063/1.1453953

0021-9606 (versió paper)

1089-7690 (versió electrònica)

http://hdl.handle.net/10256/3314

http://dx.doi.org/10.1063/1.1453953

Idioma(s)

eng

Publicador

American Institute of Physics

Relação

Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.1453953

© Journal of Chemical Physics, 2002, vol. 116, p. 5363-5373

Articles publicats (D-Q)

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Palavras-Chave #Aproximació, Teoria de l' #Camps elèctrics #Molècules #Òptica no lineal #Pertorbació (Matemàtica) #Polarització (Electricitat) #Approximation theory #Electric fields #Nonlinear optics #Perturbation (Mathematics) #Polarization (Electricity) #Molecules
Tipo

info:eu-repo/semantics/article