Bulletin of the Korean Chemical Society

  • 제24권6호
  • /
  • Pages.780-784
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  • 2003
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Collective Electronic Oscillator Method: Application to Conjugated Organic Molecules

  • Lee, Jin-Yong (Department of Chemistry, Chonnam National University)
  • 발행 : 2003.06.20
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초록

The collective electronic oscillator (CEO) method was developed by Mukamel and collaborators.[Phys. Rev. Lett. 1992, 69, 65; Science 1997, 277, 781] Recently Ⅰ have extended the CEO method to obtain the frequency dependent optical properties with all the contributing components. The brief introduction of the CEO fomalism and its recent applications to linear absorption and two-photon absorption (TPA) of conjugated organic molecules will be discussed. The size scaling of optical properties of polyenes and polyynes have studied by ab initio calculations, and this result is consistent with the coherence length of the time dependent densities to first ($ρ^(1)$) and second order ($ρ^(2)$) in the electric field obtained from the CEO method.

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