Ni²⁵⁺离子1s²nd (n≤9)的激发能和精细结构
Excitation Energies and Fine Structure Splittings for 1s²nd (n≤9) States of Ni²⁵⁺ Ion

本文主要计算1s2nd (n≤9)态的激发能和精细结构劈裂。非相对论能量通过求解Hamiltonian算符本征值的极值获得，然后将相对论效应和质量极化效应的贡献作为一级微扰来处理。精细结构劈裂数值由自旋–轨道相互作用算符和自旋–其他轨道相互作用算符的期待值得到。为了获得高精度的计算结果，在类氢近似下估算高阶相对论修正和量子电动力学(QED)修正对能级结构的贡献。本文得到的精细结构的计算结果与实验相差只有几个cm？1，激发能的计算结果与实验相比，相对误差只有0.2‰~0.6‰，由此表明本文获得的理论数据精度较高，采用的理论方法是合理可靠的。
The excitation energies and fine structure splittings of 1s2nd (n≤9) states for Ni25+ ion are calculated in this paper. Non-relativistic energies are obtained with the eigenvalue of non-relativistic Hamiltonian operators; the relativis-tic and mass-polarization effects on the energies are included as the first-order perturbation. The fine structure splittings are determined from the expectation value of spin-orbit and spin-other orbit interaction operators. In order to make the results more precise, quantum-electrodynamics (QED) contribution and higher-order relativistic contribution are con-sidered for highly charged Ni25+ ion. The results of fine structure splittings agree with the experimental data excellently, and the error is no more than several cm？1. Compared the excitation energy calculated with experimental data, the rela-tive error is only 0.2‰ - 0.6‰. It indicates the results obtained in this paper are both reliable and accurate.