R-matrix calculations for opacities: IV. Convergence, completeness, and comparison of relativistic R-matrix and distorted wave calculations for Fe xvii and Fe xviii

IF 1.5 4区 物理与天体物理 Q3 OPTICS Journal of Physics B: Atomic, Molecular and Optical Physics Pub Date : 2024-05-16 DOI:10.1088/1361-6455/ad45f6
L Zhao, S N Nahar and A K Pradhan
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Abstract

To investigate the completeness of coupled channel (CC) Breit–Pauli R-matrix (BPRM) calculations for opacities we employ the relativistic distorted wave (RDW) method to complement (‘top-up’) and compare the BPRM photoionization cross sections for high- levels of both Fe xvii and Fe xviii . Good agreement is found with background photoionization cross sections using these two methods, which also ensures the correct matching of bound level cross sections for completeness. In order to top-up the CC-BPRM calculations, bound–bound transitions involving additional bound levels, and a large number of doubly-excited quasi-bound levels corresponding to BPRM autoionizing resonances described in the paper RMOPII are calculated using the RDW method. Photoionization cross sections in the high energy region are also computed and compared up to about 500 Ry, and contributions from higher core level excitations than BPRM are considered. The effect of configuration interaction is investigated, which plays a significant role in correctly reproducing some background cross sections. Due to the fact that the additional RDW levels correspond to high- bound levels that are negligibly populated according to the Mihalas–Hummer–Däppen equation-of-state (paper I), the effect on opacities is expected to be small.
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不透明的 R 矩阵计算:IV.铁 xvii 和铁 xviii 的相对论 R 矩阵和扭曲波计算的收敛性、完整性和比较
为了研究耦合通道(CC)布赖特-保利 R 矩阵(BPRM)计算的不透明性的完整性,我们采用相对论扭曲波(RDW)方法来补充('top-up')和比较铁 xvii 和铁 xviii 高水平的 BPRM 光电离截面。这两种方法与背景光电离截面的吻合度很高,同时也确保了约束水平截面的正确匹配和完整性。为了充实 CC-BPRM 计算,使用 RDW 方法计算了涉及额外束缚水平的束缚跃迁,以及与论文 RMOPII 中描述的 BPRM 自电离共振相对应的大量双激发准束缚水平。同时还计算了高能区的光电离截面,并对高达约 500 Ry 的光电离截面进行了比较,并考虑了来自比 BPRM 更高的核级激发的贡献。研究了构型相互作用的影响,它在正确再现某些背景截面方面发挥了重要作用。由于额外的 RDW 水平对应于高束缚水平,而根据米哈拉斯-哈默-达本状态方程(论文 I),这些水平的填充可以忽略不计,因此预计对不透明性的影响很小。
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来源期刊
CiteScore
3.60
自引率
6.20%
发文量
182
审稿时长
2.8 months
期刊介绍: Published twice-monthly (24 issues per year), Journal of Physics B: Atomic, Molecular and Optical Physics covers the study of atoms, ions, molecules and clusters, and their structure and interactions with particles, photons or fields. The journal also publishes articles dealing with those aspects of spectroscopy, quantum optics and non-linear optics, laser physics, astrophysics, plasma physics, chemical physics, optical cooling and trapping and other investigations where the objects of study are the elementary atomic, ionic or molecular properties of processes.
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