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Calculations of circular intensity differences in electric-field-induced second harmonic generation
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1998 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 288, no 2-4, 371-376 p.Article in journal (Refereed) Published
Abstract [en]

Ab initio calculations of electric-field induced second-harmonic generation for chiral molecules are presented. The calculations employ cubic response theory and take into account electric-dipole, electric-quadrupole and magnetic-dipole interactions, which result in an intensity dependence on the helicity of the light. The circular intensity difference is calculated for the chiral molecules twisted ethylene, trans-1,2-dimethylcyclopropane and methyloxirane. The calculated circular intensity differences are small - being of the order of 10-4-10-3 - but such electric-field induced second harmonic generation intensity dependencies should be experimentally detectable.

Place, publisher, year, edition, pages
1998. Vol. 288, no 2-4, 371-376 p.
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-198834ScopusID: 2-s2.0-0032557320OAI: oai:DiVA.org:kth-198834DiVA: diva2:1058703
Note

References: Hansen, Aa.E., Bouman, T.D., (1980) Adv. Chem. Phys., 44, p. 545; Hecht, L., Barron, L.D., (1994) Chem. Phys. Lett., 225, p. 525; Byers, J.D., Yee, H.I., Petralli-Mallow, T., Hicks, J.M., (1994) Phys. Rev. B, 49, p. 14643; Kauranen, M., Verbiest, T., Maki, J.J., Persoons, A., (1994) J. Chem. Phys., 101, p. 8193; Stolle, R., Loddoch, M., Marowsky, G., (1994) Nonlinear Opt., 8, p. 79; Verbiest, T., Kauranen, M., Van Rompaey, Y., Persoons, A., (1996) Phys. Rev. Lett., 77, p. 1456; Lam, Y.T., Thirunamachandran, T., (1982) J. Chem. Phys., 77, p. 3810; Norman, P., Jonsson, D., Vahtras, O., Ågren, H., (1995) Chem. Phys. Lett., 242, p. 7; Jonsson, D., Norman, P., Ågren, H., (1996) J. Chem. Phys., 105, p. 6401; Epstein, S.T., (1965) J. Chem. Phys., 42, p. 2897; London, F., (1937) J. Phys. Radium, 8, p. 397; Bouman, T.D., Hansen, Aa.E., (1977) J. Chem. Phys., 66, p. 3460; Bohan, S., Bouman, T.D., (1986) J. Am. Chem. Soc., 108, p. 3261; Carravetta, V., Vahtras, O., Ågren, H., Plachkevytch, O., (1997) Chem. Phys. Lett., 257, p. 70; Carnell, M., Peyerimhoff, S.D., Breest, A., Gödderz, K.H., Ochmann, P., Hormes, J., (1991) Chem. Phys. Lett., 180, p. 477; Alagna, L., Di Fonzo, S., Turchini, T., Lazzaretti, P., Malagoli, M., Zanasi, R., Natoli, C.R., Stephens, P.J., (1994) Chem. Phys. Lett., 223, p. 402; Hehre, W.J., Ditchfield, R., Pople, J.A., (1972) J. Chem. Phys., 56, p. 2257; 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, , http://www.kjemi.uio.no/software/dalton/dalton.html, Release 1.0. QCR 20170112

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

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