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首页> 外文期刊>Physical review >Erratum: Static Polarizabilities And Optical Absorption Spectra Of Gold Clusters (au_n, N=2-14 And 20) From First Principles [phys. Rev. B 76, 205422 (2007)]
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Erratum: Static Polarizabilities And Optical Absorption Spectra Of Gold Clusters (au_n, N=2-14 And 20) From First Principles [phys. Rev. B 76, 205422 (2007)]

机译:勘误:金团簇的静态极化率和光吸收光谱(au_n,N = 2-14和20)来自第一原理[物理化学。 Rev. B 76,205422(2007)]

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摘要

Because of an inadvertent error in programming, some data presented in Figs. 8 and 9 of our paper are inaccurate. The new Fig. 8 with the corrected s,p,d angular decompositions of the Kohn-Sham levels of Au_(20) and the new Fig. 9 with the corrected d characters of the optical excitations are presented below. The net effect of these corrections is to increase the d character of the optical excitations in both Ag_n and Au_n clusters. We note that the d-electron contributions to the optical excitations of Au_n clusters are still, on average, larger than those of Ag_n clusters. However, the difference between the d characters of the optical excitations of Ag_n and Au_n clusters is not as pronounced as we originally reported. These corrections do not affect the main conclusions of our paper.
机译:由于编程中的无意错误,因此在图1和图2中示出了一些数据。我们的论文中的第8和第9条是不正确的。下面给出了具有校正后的Au_(20)的Kohn-Sham能级的s,p,d角度分解的新图8和具有经过校正的光激发的d特性的新图9。这些校正的最终效果是增加Ag_n和Au_n簇中光激发的d特性。我们注意到,平均而言,d-电子对Au_n团簇的光激发的贡献仍然大于Ag_n团簇。但是,Ag_n和Au_n团簇的光激发的d特性之间的差异并不像我们最初报道的那么明显。这些更正不会影响本文的主要结论。

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