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Theoretical Investigation on Single-Molecule Chiroptical Spectroscopy

机译:单分子毛细光学光谱的理论研究

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abstruct Some experimental results of chiroptical response of single molecule have already reported. In those experiments, dissymmetry parameter, g was used as an indicator of the relative circular dichroism intensity. The parameter for individual molecules was measured. For the purpose of giving an interpretation or explanation to the experimental result, the dissymmetry parameter is formulated on the basis of Fermi's golden rule. Subsequently, the value of individual molecules is evaluated as a function of the direction of light propagation to the orientationary fixed molecules. The ground and excited wavefunction of electrons in the molecule and transition moments needed are culculated using the density functional theory.
机译:讨论了单分子的含有单分子的阴压反应的一些实验结果。在这些实验中,使用不对称的参数G作为相对圆形二色性强度的指示。测量单个分子的参数。为了给予实验结果的解释或解释,在费米的黄金法则的基础上配制不对称参数。随后,将单个分子的值作为光传播方向与方向固定分子的函数评价。使用密度泛函理论抑制所需的电子中电子和过渡时刻的地面和激发浪潮。

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