Bulletin of the American Physical Society
54th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Volume 68, Number 7
Monday–Friday, June 5–9, 2023; Spokane, Washington
Session V01: Poster Session III (4:00pm-6:00pm, PT)
4:00 PM,
Thursday, June 8, 2023
Room: Exhibit Hall C
Abstract: V01.00105 : High-precision study of E1 transition amplitudes for single-valence atoms and ions*
Presenter:
Benjamin Roberts
(University of Queensland)
Authors:
Benjamin Roberts
(University of Queensland)
Carter Fairhall
(University of Queensland)
Jacinda Ginges
(University of Queensland)
Half our calculated amplitudes are within the experimental uncertainties, demonstrating unprecedented theoretical accuracy for many-body atoms. Further, 95% of our calculated amplitudes are within 1σ combined (theory + experimental) uncertainties, much better than statistically expected, demonstrating our theory uncertainties are conservative. Together, this demonstrates that the atomic theory is at the same level as most atomic experiment for transition amplitudes, and that theoretical uncertainties can be determined robustly.
We also compare our results to other theoretical evaluations, and discuss the implications for uncertainty analyses of theoretical methods.
In particular, we observed that in many cases there is a large discrepancy between various calculations using coupled-cluster methods, possibly indicative of the sensitivity of such methods to basis choices and the details of the inclusion of triple excitations. Our method does not suffer from these issues.
Finally, by combining highly accurate calculations of branching ratios with recent experimental data, we extract new high-precision values for several E1 amplitudes of Ca+, Cs, Fr, and Ra+.
*Australian Research Council (ARC) DECRA Fellowship DE210101026
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