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RELATIVISTIC MR-MP ENERGY LEVELS FOR L-SHELL IONS OF SULFUR AND ARGON.
The Astrophysical Journal Supplement Series ( IF 8.6 ) Pub Date : 2018-10-23 , DOI: 10.3847/1538-4365/aae14e
Juan A Santana 1 , Nahyr A Lopez-Dauphin 1, 2 , Emmanuel J Morales Butler 3 , Peter Beiersdorfer 4
Affiliation  

Calculated level energies for valence and K-vacancy states are provided for the ion series S VII - S XIV and Ar IX - Ar XVI. The calculations were performed with the relativistic Multi-Reference Mxller-Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations 1s 22(s, p) q , 1s 22(s, p) q-1 nl, 1s 12(s, p) q+1, 1s 12(s, p) q nl, 2(s, p) q+2 and 2(s, p) q+1 nl, where 1 ≤ q ≤ 8, n ≤ 5 and l ≤ 3. We have compared our results with data from the National Institute of Standards and Technology (NIST) on-line database and with previous calculations. The average deviation of valence level energies ranges from 0.16 eV in Ne-like ions to 0.01 eV in Li-like ions, showing that the present MR-MP valence level energies are highly accurate. In the case of K-vacancy states, the deviation is generally below 0.3 eV for Li-like S XIV and Ar XVI. The deviation for K-vacancy energies in other L-shell ions (Be-, B-, C-, N- and O-like Ar ions) is higher but likely because the NIST-recommended values have a higher uncertainty. The data set includes many n = 4 and n = 5 valence and K-vacancy levels in L-shell ions of S and Ar not previously reported. The data can be used for line identification and modeling of L-shell ions of S and Ar in astrophysical and laboratory-generated plasmas, and as energy references in the absence of more accurate laboratory measurements.

中文翻译:

硫和氩 L 壳层离子的相对论 MR-MP 能级。

为离子系列 S VII - S XIV 和 Ar IX - Ar XVI 提供了价态和 K 空位态的计算能级能量。使用相对论多参考 Mxller-Plesset 微扰理论方法 (MR-MP) 进行计算。该数据集包括配置为 1s 22(s, p) q 、1s 22(s, p) q-1 nl、1s 12(s, p) q+1、1s 12(s, p) q 的所有能级能量nl, 2(s, p) q+2 和 2(s, p) q+1 nl,​​其中 1 ≤ q ≤ 8,n ≤ 5 且 l ≤ 3。我们将我们的结果与美国国立卫生研究院的数据进行了比较标准与技术 (NIST) 在线数据库和以前的计算。价能级能量的平均偏差范围从类Ne离子的0.16 eV到类Li离子的0.01 eV,表明目前的MR-MP价能级能量是高度准确的。在 K 空位态的情况下,类 Li S XIV 和 Ar XVI 的偏差通常低于 0.3 eV。其他 L 壳层离子(Be、B、C、N 和 O 类 Ar 离子)中 K 空位能量的偏差较高,但这可能是因为 NIST 推荐值具有较高的不确定性。该数据集包括以前未报道过的 S 和 Ar 的 L 壳离子中的许多 n = 4 和 n = 5 价态和 K 空位水平。这些数据可用于天体物理和实验室生成的等离子体中 S 和 Ar 的 L 壳离子的线识别和建模,并在缺乏更准确的实验室测量的情况下作为能量参考。
更新日期:2019-11-01
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