硫和氩的L壳层离子的相对论MR-MP能级。

IF 8.6 1区 物理与天体物理 Q1 ASTRONOMY & ASTROPHYSICS Astrophysical Journal Supplement Series Pub Date : 2018-10-01 Epub Date: 2018-10-23 DOI:10.3847/1538-4365/aae14e
Juan A Santana, Nahyr A Lopez-Dauphin, Emmanuel J Morales Butler, Peter Beiersdorfer
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引用次数: 4

摘要

给出了离子系列SⅦ-SXIV和ArⅨ-Ar XVI的价态和K空位态的能级能量计算结果。用相对论多参考Mxller-Plesset微扰理论方法(MR-MP)进行了计算。数据集包括配置为1s 22(s,p)q、1s 22(s,p)q-1nl、1s 12(s,p)q+1、1s 12)s,p qnl、2(s,普)q+2和2(s、普)q+1nl的所有能级能量,其中1≤q≤8,n≤5和l≤3。我们将我们的结果与美国国家标准与技术研究所(NIST)在线数据库的数据以及之前的计算结果进行了比较。价能级能量的平均偏差范围为类Ne离子中的0.16eV至类Li离子中的0.01eV,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,对于像S XIV和Ar XVI的Li,偏差通常低于0.3eV。其他L壳层离子(Be-、B-、C-、N-和O-类Ar离子)中K空位能量的偏差更高,但可能是因为NIST推荐值具有更高的不确定性。该数据集包括先前未报道的S和Ar的L壳层离子中的许多n=4和n=5价态和K空位能级。这些数据可用于天体物理学和实验室产生的等离子体中S和Ar的L壳层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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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RELATIVISTIC MR-MP ENERGY LEVELS FOR L-SHELL IONS OF SULFUR AND ARGON.

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.

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来源期刊
Astrophysical Journal Supplement Series
Astrophysical Journal Supplement Series 地学天文-天文与天体物理
CiteScore
14.50
自引率
5.70%
发文量
264
审稿时长
2 months
期刊介绍: The Astrophysical Journal Supplement (ApJS) serves as an open-access journal that publishes significant articles featuring extensive data or calculations in the field of astrophysics. It also facilitates Special Issues, presenting thematically related papers simultaneously in a single volume.
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