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首页> 外文期刊>The Journal of Chemical Physics >Erratum: “Comparative study of He_3, Ne_3, and Ar_3 using hyperspherical coordinates” [J. Chem. Phys. 113, 2145 (2000)]
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Erratum: “Comparative study of He_3, Ne_3, and Ar_3 using hyperspherical coordinates” [J. Chem. Phys. 113, 2145 (2000)]

机译:勘误表:“使用超球坐标对He_3,Ne_3和Ar_3的比较研究” [J.化学物理113,2145(2000)]

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摘要

The code that was used to calculate the structural properties based on the coupled-adiabatic-channel approach shown in Figs. 5(b) and 8 of Ref. 1 has been found to contain a mistake. None of the other results presented in Ref. 1 was affected by this mistake. Figure 1 shows the revised Fig. 5(b) for the Ne trimer. The corrected fixed-R expectation values for the bond angle show less structure than those shown in Fig. 5(b) of Ref. 1. The averaged expectation values (horizontal lines on the right-hand side of the figure) are essentially unchanged. The mistake introduced an appreciable error in the structural properties shown in Fig. 8 of Ref. 1 for the first excited state of the He trimer but only a tiny error in the structural properties for the ground state of the He trimer. Figure 2 shows the corrected pair and cosine distributions for the ground state (solid lines) and the excited state (dotted lines). Figure 3 shows the pair distribution function for the excited He trimer state on an enlarged scale.
机译:基于耦合绝热通道方法用于计算结构特性的代码如图1和2所示。参考文献5(b)和8。发现1包含错误。参考文献中没有其他结果。 1受此错误影响。图1显示了针对Ne三聚体的修改后的图5(b)。与参考文献的图5(b)所示的结构相比,对键角的校正后的固定R期望值显示的结构更少。 1.平均期望值(图右侧的水平线)基本不变。该错误在参考文献的图8所示的结构特性中引入了明显的错误。对于He三聚体的第一个激发态为1,但是对于He三聚体的基态,结构特性只有很小的误差。图2显示了基态(实线)和激发态(虚线)的校正后的对和余弦分布。图3放大显示了激发的He三聚体状态的线对分布函数。

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