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Z-dependence of mean excitation energies for second and third row atoms and their ions

机译:Z-依赖于第二和第三行原子和离子的平均励磁能量

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摘要

All mean excitation energies for second and third row atoms and their ions are calculated in the random-phase approximation using large basis sets. To a very good approximation, it turns out that mean excitation energies within an isoelectronic series are a quadratic function of the nuclear charge. It is demonstrated that this behavior is linked to the fact that the contributions from continuum electronic states give the dominate contributions to the mean excitation energies and that these contributions for atomic ions appear hydrogen-like. We argue that this finding may present a method to get a first estimate of mean excitation energies also for other non-relativistic atomic ions. Published by AIP Publishing.
机译:使用大基集在随机相近似下计算第二和第三行原子的平均激发能量及其离子。 为了非常好的近似,反过来,异电子系列内的平均激发能量是核电荷的二次函数。 据证明,这种行为与连续内电子国家的贡献带来了对平均励磁能量的贡献,并且原子离子的这些贡献出现了氢气。 我们认为,该发现可以提出一种方法来获得对其他非相对论原子离子的平均励磁能量的第一估计。 通过AIP发布发布。

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