FeXX离子1s^(2)2s^(2)2p^(3)基组态能级结构和磁偶极跃迁参数的理论计算

Energy Levels and Magnetic Dipole Transition Parameters of 1s^(2)2s^(2)2p^(3) Configuration for FeXX Ion

原子光谱数据在天体物理探测、等离子体诊断等研究领域中具有重要的作用,准确可靠的原子光谱数据有助于深刻理解天体物理源的本质和等离子体的特性。以多电子的FeXX离子为研究对象,利用多组态相互作用Dirac-Fock方法完成了FeXX离子1s^(2)2s^(2)2p^(3)基组态能级结构和组态内磁偶极跃迁参数的理论计算。以全相对论理论框架下的GRASP2K程序为计算基础,细致地考虑了多电子体系的相对论效应和电子关联效应,构建了规模适当、包含关键电子关联效应的相对论原子态波函数;在此基础上,利用微扰法处理Breit相互作用和量子电动力学效应,完成了FeXX离子1s^(2)2s^(2)2p^(3)基组态能级结构和磁偶极跃迁速率、谱线波长和加权振子强度等物理量的高精度理论计算。与现有的实验结果相比,计算得到的FeXX离子1s^(2)2s^(2)2p^(3)基组态各原子态激发能的相对误差范围为0.175%~0.457%,基组态内磁偶极跃迁速率的相对误差范围为0.441%~4.725%,二者都具有较好的精度。FeXX离子1s^(2)2s^(2)2p^(3)基组态内磁偶极跃迁谱线波长和加权振子强度的实验数据还存在大量空白,计算得到的谱线波长与已有的其他理论结果非常接近,二者之间最大差值仅为6.138 88?,希望该计算结果能够为光谱实验测量提供有价值的理论参考。通过该研究可以确定,全相对论多组态相互作用Dirac-Fock方法充分考虑了电子关联效应和相对论效应,适用于多电子体系结构、性质和跃迁行为的理论研究,该方法获得的高精度理论计算结果既可以满足储存环制备高离化原子的实验数据需求,也可以为光谱测量、天体物理、等离子体诊断、受控聚变等方面的相关研究提供可靠的参考数据。

Atomic spectra data plays significant roles in the research of astrophysics measurements and plasma diagnosis,accurate and reliable atomic spectra data are very helpful in profound comprehensions of the nature of astrophysical sources and the characters of plasma.Focused on Fe XX ion,theoretical calculations on energy levels and magnetic dipole transition parameters of 1s^(2)2s^(2)2p^(3) ground configuration are performed using multi-configuration Dirac-Fock(MCDF)method in present work.Based on the relativistic computational code GRASP2k compiled within the framework of MCDF method,the relativistic effects and electron correlation effects in many-electron system are taken into account adequately,the fully relativistic atomic wave function is constructed with manageable size and most crucial correlation effects.Furthermore,considering and analyzing the competitions among the other physical interactions within the system,Breit interaction and quantum electrodynamics effect are treated in detail with perturbation approximation method.Then the accurate theoretical calculations on energy level structure and magnetic dipole transition rate,wavelength and weighted oscillator strengths of 1s^(2)2s^(2)2p^(3)configuration for FeXX ion are accomplished.Compared with the existing experimental results,there lative differences of excited energies of atomic states and transition rates for magnetic dipole transition range from 0.175%~0.457%and 0.441%to 4.725%,respectively,good agreements are achieved.However,there is still insufficient in experimental data of wavelength and weighted oscillator strengths.The wavelengths computed in this paper agree well with other theoretical results available in literature,the maximum difference between them is only 6.13888.The results obtained are hoped to provide some valuable theoretical references for spectral experimental measurements.It can be inferred from present work that the fully relativistic MCDF method is suitable for various many-electron system and can be used in a widely range of applications for its accuracy and exactness in dealing with electron correlation effect and relativistic effects.The accuracy of results calculated meets the increasing data demands of storage ring experiment in which the highly charged ions can be prepared,and provides reliable theoretical reference datafor related studies,such as high-resolution spectroscopic measurement,astrophysics,plasma diagnosis,extra-nuclear inertial confinement and nuclear fusion,and so on.