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首页> 外文期刊>The Journal of Chemical Physics >Total atomic scattering factors for the ground states of the lithium isoelectronic sequence from Na~(8+) to Ca~(17+)
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Total atomic scattering factors for the ground states of the lithium isoelectronic sequence from Na~(8+) to Ca~(17+)

机译:Na〜(8+)至Ca〜(17+)锂等电子序列基态的总原子散射因子

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摘要

In this work,total atomic scattering factors for the ground states of the lithium isoelectronic sequence are calculated by using the full core plus correlation wave function.For the ground state of the lithium atom,our results are compared with the previous theoretical values in the literature;the influence of electron correlation on total atomic scattering factors is analyzed systematically and our results agree with previous configuration interaction calculations very well.For the ground states of the lithium isoelectronic sequence from Na~(8+) to Ca~(17+),the general functional behavior of total atomic scattering factors is analyzed together for each state of the isoelectronic sequence.
机译:在这项工作中,使用全核加相关波函数计算了锂等电子序列基态的总原子散射因子。对于锂原子的基态,我们的结果与文献中先前的理论值进行了比较。 ;系统地分析了电子相关性对总原子散射因子的影响,我们的结果与以前的构型相互作用计算非常吻合。对于Na〜(8+)至Ca〜(17+)的锂等电子序列的基态对于等电子序列的每个状态,将共同分析总原子散射因子的一般功能行为。

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