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Semi-classical modeling of medium effects on NLO molecular properties
2000 (English)In: Nonlinear Optics, ISSN 1058-7268, E-ISSN 1029-2500, Vol. 25, no 1-4, 177-182 p.Article in journal (Refereed) Published
Abstract [en]

The solute nonlinear optical properties are shown to be quite ambiguous in definition. Connections between different conventions are presented. A general local field factor, differing from the commonly used Lorentz-Lorenz factor, is described. A simplified semi-classical approximation provides reliable results for systems as large as conjugated polymers and fullerenes.

Place, publisher, year, edition, pages
2000. Vol. 25, no 1-4, 177-182 p.
Keyword [en]
Conjugated polymers, Fullerenes, Local field factors, NLO, Solvent effects, Approximation theory, Mathematical models, Molecular dynamics, Optical properties, Organic polymers, Nonlinear optics
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-198811Scopus ID: 2-s2.0-0034453629OAI: oai:DiVA.org:kth-198811DiVA: diva2:1058922
Note

References: Onsager, L., (1936) J. Am. Chem. Soc., 58, p. 1486; Böttcher, C.J.F., (1973) Theory of electric polarization, 1. , Elsevier, Amsterdam; Tomasi, J., Persico, M., (1994) Chem. Rev., 94, p. 2027; Macak, P., Norman, P., Luo, Y., Ågren, H., (2000) J. Chem. Phys., 112, p. 1868; Luo, Y., Norman, P., Ågren, H., (1998) J. Chem. Phys., 109, p. 3589; Norman, P., Macak, P., Luo, Y., Ågren, H., (1999) J. Chem. Phys., 110, p. 7960; Luo, Y., Norman, P., Macak, P., Ågren, H., (1999) J. Chem. Phys., 111, p. 9853; Luo, Y., Norman, P., Macak, P., Ågren, H., (2000) Phys. Rev. B, 61, p. 3060. QCR 20170112

Available from: 2016-12-21 Created: 2016-12-21 Last updated: 2017-01-12Bibliographically approved

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