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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound:

Masayoshi Nakano1, Takuya Minami, Hitoshi Fukui

  • 1Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan. mnaka@cheng.es.osaka-u.ac.jp

The Journal of Chemical Physics
|January 21, 2012
PubMed

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