Precise ab initio calculations of (1snp) fine structure of high Rydberg states
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 . The calculations include the - and -order contributions, the singlet–triplet mixing effect, and the estimated spin-dependent -order corrections obtained using a scaling approximation. High-precision ab initio results are obtained for principal quantum numbers with kilohertz-level accuracy and further extended to 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 is expected to be clarified with improved experimental precision.