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An empirical relation between oscillator strengths calculated from the dipole length and dipole velocity formalisms in the optical absorption of conjugated molecules

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Abstract

It is found that a ratio between the oscillator strengths of the optical absorption calculated from the dipole length formalism and those calculated from the dipole velocity formalism is almost constant for many conjugated molecules if the calculation is made using the theoretically obtained transition energy. The value of the ratio becomes very sensitive to the molecular geometry if the calculation is made using the experimentally obtained transition energy. The origin of the constancy of the ratio is discussed.

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Authors and Affiliations

  1. Department of Physics, Nagoya University, Nagoya, Japan

    Toshiaki Kakitani & Hiroko Kakitani

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  1. Toshiaki Kakitani
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  2. Hiroko Kakitani
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Kakitani, T., Kakitani, H. An empirical relation between oscillator strengths calculated from the dipole length and dipole velocity formalisms in the optical absorption of conjugated molecules. Theoret. Chim. Acta 48, 155–163 (1978). https://doi.org/10.1007/PL00020708

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  • DOI: https://doi.org/10.1007/PL00020708

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