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arXiv 0710.3583physics.chem-phphysics.comp-ph
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碱金属卤化物中的偏心杂质:重取向、电极化的强度及与F心的配对。IV。再定向率

Off-center impurity in alkali halides: reorientation, electric polarization and pairing to F center. IV. Reorientational rate

G. Baldacchini, R. M. Montereali, U. M. Grassano, A. Scacco, P. Petrova, M. Mladenova, M. Ivanovich, M. Georgiev

摘要:

这最后的第四部分的目的是推导弛豫速率(时间)的偏离中心的Li+杂质。我们遵循Christov的反应速率方法来定义一般速率方程的精确Mathieu本征值,以及谐振子本征值近似的能量谱附近的底部的重定向井。为了计算在每种特定情况下的速率,我们推导出组态隧穿概率的Mathieu本征函数或谐振子本征函数。用推广的Landau-Zener方法计算了电子转移几率。典型的例子被认为是与实验弛豫时间相比,KCl:Li+。

英文摘要:

This last Part IV is aimed at deriving relaxation rates (times) of an off-center Li+ impurity. We follow Christov's reaction rate method to define general rate equations in terms of the exact Mathieu eigenvalues, as well as of harmonic-oscillator eigenvalues approximating for the energy spectrum near the bottom of the reorientational wells. To calculate the rate in each particular case, we derive configurational tunneling probabilities by either Mathieu eigenfunctions or by harmonic oscillator eigenfunctions. The electron-transfer probability is calculated by generalizing Landau-Zener's method. Typical examples are considered and compared with experimental relaxation times in KCl:Li+.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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