类硼S离子K壳层激发共振态的辐射和俄歇跃迁

Radiative and Auger transitions of K-shell excited resonance states in boron-like sulfur ion

采用多组态鞍点变分方法计算了类硼S离子K壳层激发共振态1s2s22p2, 1s2s2p3, 1s2p4 2,4L(L=S, P,D)的非相对论能量和波函数,利用截断变分方法饱和波函数空间,改进体系的非相对论能量.利用微扰理论计算了相对论修正和质量极化效应,利用屏蔽的类氢公式计算了QED (quantum electrodynamics)效应和高阶相对论修正.进一步,考虑闭通道和开通道相互作用,计算了由俄歇共振效应引起的能级移动,从而得到了共振态的精确相对论能级.利用优化的波函数,计算了类硼S离子K壳层激发共振态的电偶极辐射跃迁的线强度、振子强度、跃迁率和跃迁波长.计算的振子强度和辐射跃迁率均给出了长度规范、速度规范、加速度规范的结果.三种规范结果的一致性表明了本文计算的波函数是足够精确的.利用鞍点复数转动方法计算了类硼S离子K壳层激发共振态的俄歇跃迁率、俄歇分支率和俄歇电子能量.本文的计算结果与其他文献数据符合较好.

Non-relativistic energy values and wave functions of the K-shell excited resonance states 1s2s22p2, 1s2s2p3,1s2p4 2,4L(L = S, P, D) in boron-like sulfur ion are calculated in the frame of multi-configuration saddle-point variation method. The electron correlation effects are considered by the expansion of configuration wave function. The wave functions are constructed and optimized by the orbital-spin angular momentum partial waves selected based on the rule of configuration interaction. To saturate the wave functional space and to improve the non-relativistic energy, the restricted variational method is used to calculate the restricted variational energy. Then, the mass polarization effect and relativistic correction are calculated by the perturbation theory. The quantum electrodynamics(QED) effect and higher-order relativistic correction are considered by the screened hydrogenic formula. Furthermore, the energy shift originating from the interaction between closed channel and open channel is also calculated. Finally, the accurate relativistic energy levels for these resonance states are obtained by adding the non-relativistic energy and all corrections.Using the optimized wave functions, the line strengths, oscillator strengths, radiative transition rates and transition wavelengths of electric-dipole transitions for the K-shell excited resonance states in boron-like sulfur ion are systematically calculated. In this work, the oscillator strengths and transition rates are given in the length, velocity, and acceleration gauges. The good agreement among the three gauges reflects that the calculated wave functions are reasonably accurate. The calculated radiative transition rates and transition wavelengths are compared with other theoretical data. Good agreement is obtained except the transition:1s2s(3S)2p32Po→1s22s2p22D. The deviation between our theoretical result and the MCDF theoretical value is about 46%, which needs further verifying. The Auger rates, Auger branching ratios, and Auger electron energy values of the important decay channels of the K-shell excited states are calculated by the saddle-point complexrotation method. The calculated Auger rates and Auger electron energy values are also in good agreement with the corresponding reference data. For some K-shell states, the related energy levels and Auger branching ratios are reported for the first time. The present calculations results will provide valuable theoretical data for the calibration of spectral lines and Auger electron spectra in the relevant experiments.