论文标题

天体物理学的大规模多浓度的狄拉克 - 哈特里库克计算:n = 4个水平从mn〜xi到ni〜xiv

Large-scale multiconfiguration Dirac-Hartree-Fock calculations for astrophysics: n=4 levels in P-like ions from Mn~XI to Ni~XIV

论文作者

Song, C. X., Wang, K., Del Zanna, G., Jönsson, P., Si, R., Godefroid, M., Gaigalas, G., Radži{ū}t{ė}, L., Rynkun, P., Zhao, X. H., Yan, J., Chen, C. Y.

论文摘要

使用多种配置的狄拉克 - 哈特里库和相对论的配置互动方法,最低546(623,701,745)的一致的过渡能量和辐射过渡数据一致,$ 3p^4 3d $ 3d $,$ 3s 3s 3p^2 3d 3d 3d^2 3d^2 3d^2 $ 3s 3p $ 3s 3p^3s 3p^3p^3p^3p^3p^3p^4p^3p^4p^4p^4p^3p^3p^4p^$ 3d^3 $,$ 3S^2 3p^2 3d $,$ 3S^2 3p^2 4d $,$ 3S^2 3p^2 3p^2 4s $,$ 3P^3 3d 3dd^2 $,$ 3p^5 $,$ 3S 3P 3D^3 dd^3 $,$ 3S 3S 3S 3P^3 dd $ 3s 3s 3s 3s 3s 3s 3s 3s 3s 3p^3p $ 3p^3p $ 3s $ 3S $ 3S $ 3S $ 3S $ 3S $ 3S $ 3S 3. 3p^2 4f $,$ 3S^2 3p^2 4p $,$ 3S^2 3p^3 $配置在Mn〜xi(fe〜xii,co〜xiii,ni〜xiv)中提供。 $ n = 4 $状态的计算激发能与Fe XII的可用实验值之间的比较表明,计算高度准确,不确定性仅为几百cm $^{ - 1} $。这些状态的线在软X射线中很突出。通过当前的计算,确认了最近的一些新标识。讨论了涉及$ 3P^2 4D $级别的其他标识,这些标识被发现值得怀疑,建议进行一些新的任务。由于其他离子的大约$ n = 4 $状态在实验和计算的能量之间也显示出很大的差异,因此我们重新评估它们的识别。本研究为$ n = 4 $的天体物理兴趣离子的$ n = 4 $状态提供了高度准确的原子数据,实验数据很少。

Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the lowest 546 (623, 701, 745) states of the $3p^4 3d$, $3s 3p^2 3d^2$, $3s 3p^3 4p$, $3s 3p^4$, $3s^2 3d^3$, $3s^2 3p^2 3d$, $3s^2 3p^2 4d$, $3s^2 3p^2 4s$, $3p^3 3d^2$, $3p^5$, $3s 3p 3d^3$, $3s 3p^3 3d$, $3s 3p^3 4s$, $3s^2 3p 3d^2$, %$3s^2 3p^2 4f$, $3s^2 3p^2 4p$, $3s^2 3p^3$ configurations in Mn~XI (Fe~XII, Co~XIII, Ni~XIV) is provided. The comparison between calculated excitation energies for the $n=4$ states and available experimental values for Fe XII indicate that the calculations are highly accurate, with uncertainties of only a few hundred cm$^{-1}$. Lines from these states are prominent in the soft X-rays. With the present calculations, several recent new identifications are confirmed. Other identifications involving $3p^2 4d$ levels in Fe~XII that were found questionable are discussed and a few new assignments are recommended. As some $n=4$ states of the other ions also show large discrepancies between experimental and calculated energies, we reassess their identification. The present study provides highly accurate atomic data for the $n=4$ states of P-like ions of astrophysical interest, for which experimental data are scarce.

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