A simple method for determining approximate static and dynamic vibrational hyperpolarizabilities
作者： David M. Bishop , Muhammed Hasan , Bernard Kirtman
DOI: 10.1063/1.469600
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摘要: A simple method is presented for calculating approximate static and dynamic vibrational hyperpolarizabilities. It involves determining electrical properties in the presence of a field with without geometry optimization. This readily applicable to all tensor components general polyatomic molecule.
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sci-hub.se 参考文章(18)
Josep Martí, José Luis Andrés, Juan Bertrán, Miquel Duran, Molecular electric properties and nuclear and vibrational relaxation Molecular Physics. ,vol. 80, pp. 625- 633 ,(1993) , 10.1080/00268979300102501
Stanisław Kielich, Myron W. Evans, Modern nonlinear optics Wiley. ,(1993)
David M. Bishop, Bernard Kirtman, A perturbation method for calculating vibrational dynamic dipole polarizabilities and hyperpolarizabilities Journal of Chemical Physics. ,vol. 95, pp. 2646- 2658 ,(1991) , 10.1063/1.460917
David M. Bishop, Bernard Kirtman, Compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities Journal of Chemical Physics. ,vol. 97, pp. 5255- 5256 ,(1992) , 10.1063/1.463806
S. R. Polo, Matrices D—1 and G—1 in the Theory of Molecular Vibrations The Journal of Chemical Physics. ,vol. 24, pp. 1133- 1138 ,(1956) , 10.1063/1.1742730
D.S. Elliott, J.F. Ward, Vibrational mode contributions to molecular third order polarizabilities Molecular Physics. ,vol. 51, pp. 45- 63 ,(1984) , 10.1080/00268978400100031
Bernard Kirtman, Muhammad Hasan, Linear and nonlinear polarizabilities of trans‐polysilane from ab initio oligomer calculations Journal of Chemical Physics. ,vol. 96, pp. 470- 479 ,(1992) , 10.1063/1.462483
M. Del Zoppo, C. Castiglioni, M. Veronelli, G. Zerbi, Nuclear contribution to hyperpolarizability of polyconjugated compounds: role of vibrational intensities Synthetic Metals. ,vol. 57, pp. 3919- 3926 ,(1993) , 10.1016/0379-6779(93)90535-5
David M. Bishop, Janusz Pipin, Bernard Kirtman, Effect of vibration on the linear and nonlinear optical properties of HF and (HF)2 Journal of Chemical Physics. ,vol. 102, pp. 6778- 6786 ,(1995) , 10.1063/1.469150
Benoît Champagne, Eric A. Perpète, Jean‐Marie André, Vibrational polarizability of polyacetylene chains Journal of Chemical Physics. ,vol. 101, pp. 10796- 10807 ,(1994) , 10.1063/1.467830