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A theoretical method for the determination of the transition dipole matrix from state-to-state experiments.

机译：从状态到状态实验确定跃迁偶极矩阵的理论方法。

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The experimental determination of the magnitude and phase of the transition dipole matrix elements (t-matrix elements) provides a wealth of information to the dynamicist. Experimental determination of the t-matrix provides the ab-initio theoretician with a molecule specific, model independent, experimental benchmark to test his electronic structure calculations. In addition, knowledge of the t-matrix allows the determination of every scalar and vector correlation of a unimolecular photodissociation reaction.; The vector correlations of photo-reactions are one of the primary tools the photodissociation dynamicist has to understand the dynamics of a photoreaction. However, the most informative of the vector correlations entail the difficult measurement of state-selected, angle resolved, photofragment cross sections. The purpose of this work is to provide an alternative set of measurements. Rather than difficult angle resolved measurements, this work will provide the necessary angle independent measurements that will allow the full specification of the t-matrix for the one photon dissociation of any parent molecule. Once the t-matrix has been specified, it can be used to determine any of the other vector or scalar correlations of the photo-reaction. This work will also demonstrate that if t-matrix is to be determined with angle independent measurements, the parent molecule must be M-state selected or polarized. Since the polarization of the parent molecule may be time dependent on the scale of the experiments, the time dependent treatment will also be shown. Lastly, an example calculation for the photodissociation of LiH will be provided to illustrate the use of the various ideas.
机译：对跃迁偶极子矩阵元素（t矩阵元素）的大小和相位的实验确定为动力学家提供了丰富的信息。 T矩阵的实验确定为从头开始的理论家提供了分子特异性，独立于模型的实验基准，以测试其电子结构计算。另外，对t-矩阵的了解允许确定单分子光解离反应的每个标量和向量的相关性。光反应的矢量相关性是光解动力学专家必须了解光反应动力学的主要工具之一。然而，矢量相关性中最有用的信息是难以测量状态选择的角度分辨的光碎裂截面。这项工作的目的是提供另一套测量方法。这项工作将提供必要的与角度无关的测量，而不是困难的角度分辨测量，这将允许任何母体分子的一个光子解离的t矩阵具有完整的规格。一旦指定了t矩阵，就可以将其用于确定光反应的任何其他矢量或标量相关性。这项工作还将证明，如果要通过与角度无关的测量来确定t矩阵，则母体分子必须处于M状态选择或极化状态。由于母体分子的极化可能与时间有关，取决于实验规模，因此还将显示与时间有关的处理方法。最后，将提供LiH光解离的示例计算，以说明各种想法的使用。

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