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    Precise ab initio calculations of He4 (1snp3PJ) fine structure of high Rydberg states

    Hao Fang1,*, Jing Chi1,2,*, Xiao-Qiu Qi3, Yong-Hui Zhang1,†, Li-Yan Tang1,‡, and Ting-Yun Shi1

    • *These authors contributed equally to this work.
    • †Contact author: yhzhang@wipm.ac.cn
    • ‡Contact author: lytang@apm.ac.cn

    Phys. Rev. A 113, 012812 – Published 12 January, 2026

    DOI: https://doi.org/10.1103/j3by-7j54

    Abstract

    High-precision measurements of the fine-structure splittings in helium high Rydberg states have been reported, yet corresponding ab initio benchmarks for direct comparison remain unavailable. In this work, we extend the correlated B-spline basis function (C-BSBF) method to calculate the fine-structure splittings of high Rydberg states in He4. The calculations include the mα4- and mα5-order contributions, the singlet–triplet mixing effect, and the estimated spin-dependent mα6-order corrections obtained using a 1/n3 scaling approximation. High-precision ab initio results are obtained for principal quantum numbers n=24–37 with kilohertz-level accuracy and further extended to n=45–51 by extrapolation and fitting. The theoretical results show excellent agreement with quantum-defect theory (QDT) predictions and allow direct comparison with experimental measurements. Additionally, the discrepancy observed at n=34 is expected to be clarified with improved experimental precision.

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