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Third Order Hyperpolarizability of Polythiophene and Thiophene Oligomers

Charra, F. / Messier, J.

Abstract We have performed a CNDO calculation on polythiophene. A new representation of the virtual excited states in terms of electron-hole distance is proposed. A careful size consistent calculation of γ is presented and leads to a finite value per unit volume for an infinite chain (χ3 = 1.0 10-11 esu at ω = 0). The same procedure is used to check the influence of the polymer configuration.

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Third Order Hyperpolarizability of Polythiophene and Thiophene Oligomers

Charra, F. / Messier, J.

Abstract We have performed a CNDO calculation on polythiophene. A new representation of the virtual excited states in terms of electron-hole distance is proposed. A careful size consistent calculation of γ is presented and leads to a finite value per unit volume for an infinite chain (χ3 = 1.0 10-11 esu at ω = 0). The same procedure is used to check the influence of the polymer configuration.

Third Order Hyperpolarizability of Polythiophene and Thiophene Oligomers

Charra, F. / Messier, J.

Abstract We have performed a CNDO calculation on polythiophene. A new representation of the virtual excited states in terms of electron-hole distance is proposed. A careful size consistent calculation of γ is presented and leads to a finite value per unit volume for an infinite chain (χ3 = 1.0 10-11 esu at ω = 0). The same procedure is used to check the influence of the polymer configuration.

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Titel:

Third Order Hyperpolarizability of Polythiophene and Thiophene Oligomers

Beteiligte:

Charra, F. (Autor:in) / Messier, J. (Autor:in)

Erschienen in:

Conjugated Polymeric Materials: Opportunities in Electronics, Optoelectronics, and Molecular Electronics ; 409-420

NATO ASI Series ; 182

Erscheinungsdatum:

01.01.1990

Format / Umfang:

12 pages

ISBN:

978-94-010-7416-2 , 978-94-009-2041-5

ISSN:

DOI:

https://doi.org/10.1007/978-94-009-2041-5_31

Medientyp:

Aufsatz/Kapitel (Buch)

Format:

Elektronische Ressource

Sprache:

Englisch

Schlagwörter:

Poly Thiophene , Transition Dipole Moment , Thiophene Derivative , Time Dependant Perturbation , Dipole Moment Operator Chemistry , Industrial Chemistry/Chemical Engineering , Characterization and Evaluation of Materials , Organic Chemistry , Optics, Lasers, Photonics, Optical Devices

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