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Optical response of small closed-shell sodium clusters

机译:小型闭壳钠团簇的光学响应

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摘要

Absorption spectra of closed-shell Na_2, Na 3+, Na_4, Na 5+, Na_6, Na 7+, and Na_8 clusters are calculated using a complex Bethe-Salpeter equation derived using a conserving linear response method. In the framework of a quasiparticle approach, we determine electron-hole correlations in the presence of an external field. The calculated results are in excellent agreement with experimental spectra, and some possible cluster geometries that occur in experiments are analyzed. The position and the broadening of the resonances in the spectra arise from a consistent treatment of the scattering and dephasing contributions in the linear response calculation. Comparison between the experimental and the theoretical results yields information about the cluster geometry, which is not accessible experimentally.
机译:使用保守线性响应方法导出的复杂Bethe-Salpeter方程计算闭壳Na_2,Na 3 +,Na_4,Na 5 +,Na_6,Na 7+和Na_8团簇的吸收光谱。在准粒子方法的框架中,我们确定存在外场时的电子-空穴相关性。计算结果与实验光谱非常吻合,并分析了实验中可能出现的一些簇几何形状。频谱中共振的位置和加宽是由于线性响应计算中对散射和相移的贡献得到了一致的处理。实验结果与理论结果之间的比较产生了关于团簇几何形状的信息,该信息无法通过实验获得。

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