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

摘要: 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。

Abstract: 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.