Accurate ab initio calculation and neural network prediction of the atomic properties of Os LXXIII, Ir LXXIV, Pt LXXV, and Au LXXVI

• Published in: Journal of quantitative spectroscopy & radiative transfer 2024-09, Vol.324, p.109078, Article 109078
• Main Author: Chen, Zhan-Bin
• Format: Article
• Language: English
• Subjects: Atomic structure; Energy levels; MCDF method; Transition parameters
• ISSN: 0022-4073; 1879-1352
• DOI: 10.1016/j.jqsrt.2024.109078

In this paper, we present an ab initio theoretical calculation of the atomic parameters, including energy levels, wavelengths, lifetimes, and transition parameters, associated with the 1s22snl and 1s22pnl (n= 2–4, l≤n−1) configurations of Be-like sequence: Os LXXIII, Ir LXXIV, Pt LXXV, and Au LXXVI. Our analysis is based on the relativistic wavefunctions derived from the multi-configuration Dirac–Fock (MCDF) method, which are implemented in the relativistic atomic structure package GRASP2018. The correlations within the (principal quantum number) n= 10 complex are accounted for. The Breit interaction and quantum electrodynamical effects are added in the relativistic configuration interaction (RCI) calculation. Our results are compared with the existing data. The uncertainties of the dipole transition line strengths are assessed. In addition, we propose a feed forward neural network to predict the energy levels of Au LXXVI. This is a powerful machine learning tool capable of learning from existing data and predicting unknown data. The network is trained using theoretical energy levels of Os LXXIII, Ir LXXIV, and Pt LXXV obtained from the MCDF method. Our neural network exhibits average relative deviations of approximately 0.01% and 0.02% for trained and predicted energy levels, respectively, when compared to the MCDF results. This level of deviation suggests that our results are reasonably accurate. The data set presented in this study is useful for modeling fusion plasmas. •Energies and transition probabilities in Os LXXIII, Ir LXXIV, Pt LXXV, and Au LXXVI of fusion interest are calculated.•The relativistic multiconfiguration Dirac–Fock method is employed.•The neural network is employed.•The calculated data are useful for fusion research.