Bulletin of the American Physical Society
55th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Monday–Friday, June 3–7, 2024; Fort Worth, Texas
Session 4A: V: On-Demand Poster Session - Available throughout DAMOP Meeting
8:00 AM,
Monday, June 3, 2024
Abstract: 4A.00006 : R-Matrix calculations for opacities: IV.: Convergence, completeness, and comparison of relativistic R-matrix and distorted wave calculations for Fe xvii and Fe xviii*
Presenter:
Sultana N Nahar
(Ohio State Univ - Columbus)
Authors:
Sultana N Nahar
(Ohio State Univ - Columbus)
Lianshui Zhao
(The Ohio State University)
Anil K Pradhan
(The Ohio State University)
(RDW) method to complement (“top-up”) and compare the BPRM photoionization cross sections for high-nl levels of both Fe xvii and Fe xviii . Good agreement is found in background photoionization cross sections using these two methods, which also ensures correct matching of bound level cross sections for completenss. 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 paper II, are calculated using the RDW method. Photionization 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. Owing to the fact that the additional RDW levels correspond to high-nl 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.
*Computational facility: Ohio Supercomputer Center
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