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Optical response of small closed-shell sodium clusters

机译:小封闭钠钠簇的光学响应

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摘要

Absorption spectra of closed-shell Na_2, Na_3+, Na_4, Na_5+, Na_6, Na_7+, andNa_8 clusters are calculated using a recently implemented conserving linearresponse method. In the framework of a quasiparticle approach, we determineelectron-hole correlations in the presence of an external field. The calculatedresults are in excellent agreement with experimental spectra, and some possiblecluster geometries that occur in experiments are analyzed. The position and thebroadening of the resonances in the spectra arise from a consistent treatmentof the scattering and dephasing contributions in the linear responsecalculation. Comparison between the experimental and the theoretical resultsyields information about the cluster geometry, which is not accessibleexperimentally.
机译:使用最近实现的保守线性响应方法,计算了闭壳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,我们确定存在外部场时的电子-空穴相关性。计算结果与实验光谱非常吻合,并且分析了实验中可能出现的一些集群几何形状。频谱中共振的位置和加宽起因于线性响应计算中对散射和相移贡献的一致处理。实验结果和理论结果之间的比较产生了关于团簇几何形状的信息,这是无法通过实验获得的。

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