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

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

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

American Institute of Physics

Author: Torrent Sucarrat, Miquel
Solà i Puig, Miquel
Duran i Portas, Miquel
Luis Luis, Josep Maria
Kirtman, Bernard
Date: 2002
Abstract: 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
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Citation: 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
ISSN: 0021-9606 (versió paper)
1089-7690 (versió electrònica)
Document access: http://hdl.handle.net/10256/3314
Language: eng
Publisher: American Institute of Physics
Collection: Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.1453953
Articles publicats (D-Q)
Is part of: © Journal of Chemical Physics, 2002, vol. 116, p. 5363-5373
Rights: Tots els drets reservats
Subject: 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
Title: Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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