Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Numerical Coupled Liouville Approach: Application to Nonperturbative Second Hyperpolarizability of a Molecular Aggregate
Masayoshi NakanoKizashi Yamaguchi
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1998 Volume 71 Issue 6 Pages 1315-1320

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Abstract

In our previous paper (Int. J. Quant. Chem., in press1)) we discussed a novel numerical calculation scheme for the dynamics of a quantum network for linear molecular aggregates under time-dependent electric fields. The population and polarizability spectra for dimer models were found to exhibit a change, like a phase-transition behavior, for applied field intensities. In the present work we apply this method to a calculation of nonperturbative second hyperpolarizability γ of a dimer model and investigate the dependence of γ on the field intensity.

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© 1998 The Chemical Society of Japan
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