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 an...

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Veröffentlicht in:	The Journal of chemical physics 2011-03
Hauptverfasser:	Torrent Sucarrat, Miquel, Solà i Puig, Miquel, Duran i Portas, Miquel, Luis Luis, Josep Maria, Kirtman, Bernard
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation theory Aproximació, Teoria de l Camps elèctrics Electric fields Molecules Molècules Nonlinear optics Pertorbació (Matemàtica) Perturbation (Mathematics) Polarització (Electricitat) Polarization (Electricity) Òptica no lineal
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creator	Torrent Sucarrat, Miquel Solà i Puig, Miquel Duran i Portas, Miquel Luis Luis, Josep Maria Kirtman, Bernard
description	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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source	AIP Journals Complete; Recercat; AIP Digital Archive; Alma/SFX Local Collection
subjects	Approximation theory Aproximació, Teoria de l Camps elèctrics Electric fields Molecules Molècules Nonlinear optics Pertorbació (Matemàtica) Perturbation (Mathematics) Polarització (Electricitat) Polarization (Electricity) Òptica no lineal
title	Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
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