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Molecular length dependence of optical properties of hydrocarbon oligomers
1998 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 285, no 3-4, 160-163 p.Article in journal (Refereed) Published
Abstract [en]

It is demonstrated that common power law dependencies for the energy gap, the polarizability, and the hyperpolarizability can be obtained for shorter hydrocarbon oligomers if the molecular length is used as the basic structural parameter.

Place, publisher, year, edition, pages
1998. Vol. 285, no 3-4, 160-163 p.
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-198836ScopusID: 2-s2.0-0032549246OAI: oai:DiVA.org:kth-198836DiVA: diva2:1058711
Note

References: Brédas, J.L., Adant, C., Tackx, P., Persoons, A., (1994) Chem. Rev., 94, p. 243; Hurst, G.J.B., Dupuis, M., Clementi, E., (1988) J. Chem. Phys., 89, p. 385; Lu, D., Marten, B., Ringnalda, M., Friesner, R.A., Goddard W.A. III, (1996) Chem. Phys. Lett., 257, p. 224; Heflin, J.R., Wong, K.Y., Zamani-Khamiri, O., Garito, A.F., (1988) Phys. Rev. B, 38, p. 1537; Luo, Y., Norman, P., Jonsson, D., Ågren, H., (1996) Mol. Phys., 89, p. 1409; Kanbara, H., Kobayashi, H., Kaino, T., Ooba, N., Kurihara, T., (1994) J. Phys. Chem., 98, p. 12270; Karna, S.P., Talapatra, G.B., Wijekoon, W.M.K.P., Prasad, P.N., (1992) Phys. Rev. A, 45, p. 2763; Norman, P., Jonsson, D., Ågren, H., Dahle, P., Ruud, K., Helgaker, T., Koch, H., (1996) Chem. Phys. Lett., 253, p. 1; Jonsson, D., Norman, P., Luo, Y., Ågren, H., (1996) J. Chem. Phys., 105, p. 581; Ruud, K., Norman, P., Jonsson, D., Ågren, H., Saue, T., Jensen, H.J.Aa., Dahle, P., Helgaker, T., to be publishedHehre, W.J., Lathan, W.A., (1972) J. Chem. Phys., 56, p. 5255; Ditchfield, R., Hehre, W.J., Pople, J.A., (1971) J. Chem. Phys., 54, p. 724; Hurley, J.K., Lincshitz, H., Treinin, A., (1988) J. Phys. Chem., 92, p. 5151; Helgaker, T., Jensen, H.J.Aa., Jørgensen, P., Olsen, J., Ruud, K., Ågren, H., Andersen, T., Vahtras, O., (1997) Dalton, an ab Initio Electronic Structure Program, Release, 10. , http://www.kjemi.uio.no/software/dalton/dalton.html, see; Luo, Y., Ågren, H., Koch, K., Jørgensen, P., Helgaker, T., (1995) Phys. Rev. B, 51, p. 14949; Zhao, M., Singh, B., Prasad, P.N., (1988) J. Chem. Phys., 89, p. 5535; Norman, P., Luo, Y., Jonsson, D., Ågren, H., (1997) J. Chem. Phys., 106, p. 1827; Kirtman, B., Champagne, B., André, J.-M., (1996) J. Chem. Phys., 104, p. 4125. QCR 20170112

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

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