2026-10-14T18:09:37Z https://www.scidb.cn/oai

10.57760/sciencedb.j00113.00279 2026-05-08T10:15:14Z

2026-05-08 High-precision Calculations of Autoionizing States of Nickel Atom for $J^{\pi} = 4^-$ symmetry doi:10.57760/sciencedb.j00113.00279 en This dataset presents a high-precision spectroscopic study of Ni atoms, focusing on the autoionizing states of the $3d^8 (^3F)4s \^4F_{9/2} \np_{3/2}$ and $nf_{5/2}$ series (where n=13-20). The data were generated through a combination of theoretical atomic structure calculations and experimental measurements referenced from published literature (specifically, the experimental works of Shi et al. [1] and Zhang [2]). The theoretical values presented in "This Work" were obtained using relativistic multichannel theory (RMCT) + multichannel quantum defect theory (MQDT) methods, while the comparative "FAC [3]" lifetime data were produced via mean-field calculations performed with the Flexible Atomic Code (FAC). The dataset is structured in a tabular format containing 20 records, with each row corresponding to a specific atomic energy state. The columns are defined as follows: "States" identifies the quantum mechanical designation of the autoionizing level; "Energy levels" provides the resonance center energies in wavenumbers ($\text{cm}^{-1}$), with sub-columns for the theoretical values from this study and the experimental values from the cited references; and "Lifetime (ps)" gives the calculated lifetimes in picoseconds (ps), comparing the results from this work with those from the FAC code. A notable feature of the dataset is the excellent agreement between the theoretical and experimental resonance energies, with a maximum deviation of only 0.02%, underscoring the accuracy of the calculations. However, significant discrepancies are observed in the lifetime values between the two theoretical methods, highlighting the sensitivity of lifetime calculations to electron correlation effects. Some experimental energy values are missing for certain states (e.g., $20p_{3/2}$ and $20f_{5/2}$), as indicated by empty cells, which were not provided in the original reference publications. This dataset is valuable for benchmarking theoretical models and for studies involving atomic autoionization processes and high-resolution spectroscopy. Multichannel Quantum Defect Theory; autoionizing states; high precision Sheng-Bo Niu(牛生波) Jun-Yao Zhang (张钧尧) Rui Jin(金锐) Yi-Zhi Qu(屈一至) PUBLIC https://creativecommons.org/licenses/by-nc/4.0/ dataset http://www.doi.org/10.1088/1674-1056/ae2a01 Science Data Bank