等离子体对电子间相互作用的屏蔽效应研究

在计算等离子体环境中的原子结构时,一般情况下只考虑等离子体对核-电子相互作用的屏蔽,较少考虑其对电子-电子相互作用的屏蔽.本文采用MCDHF(multi-configuration Dirac-Hartree-Fork)方法结合屏蔽势研究了电子-电子相互作用的等离子体屏蔽对原子结构参数的影响随电子密度、电子温度、核电荷数和束缚电子个数的变化规律.结果表明,对于类氦离子的基态和第一激发态,等离子体对电子-电子相互作用的屏蔽引起的能量移动量、跃迁能移动量和跃迁几率移动量分别随着电子密度和电子温度的升高而不断增大和减小;随着核电荷数的增大,能量移动量逐渐增大并趋于稳定值,跃迁能移动量和跃迁几率移动量逐渐减小并趋于0.能量移动量随着束缚电子个数的增加而增大.当满足电子密度(束缚电子个数)大于或者等于其临界值以及电子温度(核电荷数)小于或者等于其临界值任意一条件时,等离子体对电子-电子相互作用的屏蔽效应不可忽略.

Forbidden transition properties of fine-structure 2p^3 ~4S_(3/2)–2p^3 ~2D_(3/2,5/2) for nitrogen-like ions

Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration interaction cal- culations, E2 and M1 transition probabilities of 2p3 4S3/2-2p3 2D3/2,5/2 are investigated in the nitrogen-like sequence with 7 〈 Z 〈 16. The contributions of the electron correlations, Breit interaction, and the quantum electrodynamic （QED） effects on the transition properties are analyzed. The present results can be used for diagnosing plasma. In addition, several N-like ions can also be recommended as a promising candidate for a highly charged ion （HCI） clock with a quality factor （Q） of trnnsition as hitch as 1020.

Theoretical investigation on forbidden transition properties of fine-structure splitting in ~2D state for K-like ions with 26≤Z≤36

Excitation energies, magnetic dipole, and electric quadrupole transition probabilities of the 3d ^2D3/2-3d ^2D5/2 transition in the potassium-like （K-like） sequence with 26 ≤ Z ≤ 36 are investigated by using the multi-configuration Dirac-Hartree-Fock （MCDHF） method. The contributions of the electron correlations, Breit interaction, and the leading-order quantum electrodynamic （QED） effects on the transition properties are analyzed. The present results are interested in the laboratory tokamak and the astronomical observations. Furthermore, the feasibility of these ions for the highly charged ion （HCI） clocks is discussed. Considering the wavelength of lasers and manipulation process of the atomic clocks, Cu^10＋ and Zn^11＋ are recommended as promising candidates with achievable quality factors at the 10^15 level.

Weak- and hyperfine-interaction-induced 1s2s ~1S_0→ 1s^2 ~1S_0 E1 transition rates of He-like ions

Weak- and hyperfine-interaction-induced 1 s2s 1S0→ 1S2 1 S0 E 1 transition rates for the isoelectronic sequence of Helike ions have been calculated using the multi-configuration Dirac-Hartree-Fock （MCDHF） and relativistic configuration interaction methods. The results should be helpful for the future experimental investigations of parity non-conservation effects.

Theoretical calculations of hyperfine splitting,Zeeman shifts,and isotope shifts of^(27)Al^(+)and logical ions in Al^(+)clocks

Based on the multiconfiguration Dirac-Hartree-Fock(MCDHF)method,similar models are employed to simultaneously calculate the first-order and second-order Zeeman coefficients as well as the hyperfine interaction constants of the related energy levels of ^(27)Al^(+)and its logical ions ^(9)Be^(+)and^(25)Mg^(+)in the^(27)Al^(+)optical clock.With less than 0.34%deviations from experimental values in Zeeman coefficients of^(27)Al^(+),these calculated parameters will be of great help for better evaluation of the systematic uncertainty.We also calculate the isotope shift parameters of the related energy levels,which could extend our knowledge and understanding of nuclear properties of these ions.

Uncertainty evaluation of the isotope shift factors for 2s2p^(3,1)P_1~o–2s^2 ~1S_0 transitions in B Ⅱ

Accurate isotope shift factors of the 2s2p^（3,1）P_1~o–2s^2 ~1S_0 transitions in B II, obtained with the multi-configuration Dirac–Hartree–Fock and the relativistic configuration interaction methods, are reported. We found a linear correlation relation between the mass shift factors and the energies for the transitions concerned, considering all-order electron correlations. This relation is important for estimating the uncertainty in the calculation of isotope shift factors. These atomic data can be used to extract the nuclear mean-square charge radii of the boron isotopes with halo structures or to resolve the high precise spectroscopy of B II in astronomical observation.

Theoretical study of the hyperfine interaction constants, Landé g-factors, and electric quadrupole moments for the low-lying states of the 61Niq+(q=11,12,14,and 15) ions

Highly charged nickel ions have been suggested as candidates for the ultra-precise optical clock, meanwhile the relevant experiment has been carried out. In the framework of the multiconfiguration Dirac–Hartree–Fock(MCDHF)method, we calculated the hyperfine interaction constants, the Landég-factors, and the electric quadrupole moments for the low-lying states in the 61Ni11+,61Ni12+,61Ni14+, and61Ni15+ ions. These states are clock states of the selected clock transitions in highly charged nickel ions(see Fig. 1). Based on discussing the effects of the electron correlations, the Breit interaction, and quantum electrodynamics(QED) effect on these physical quantities, reasonable uncertainties were obtained for our calculated results. In addition, the electric quadrupole frequency shifts and the Zeeman frequency shifts of the clock transitions concerned were analyzed.

相对论效应对类锂离子能级结构及辐射跃迁性质的影响

利用基于多组态Dirac-Hartree-Fock(MCDHF)理论方法的相对论原子结构计算程序包GRASP2K,细致计算了中性锂原子、类锂Be^+,C^(3+),O5^+,Ne^(7+),Ar^(15+),Fe^(23+),Mo^(39+),W^(71+)及U^(89+)离子基组态及较低的激发组态ls^2nl(n=2—4,l=s,p,d,f)的精细结构能级,以及各能级间发生电偶极(E1)自发辐射跃迁的能量、概率及振子强度.同时,在非相对论极限下,计算了其相关原子参数.通过对相对论及非相对论计算结果的比较,系统研究了相对论效应对类锂等电子系列离子能级结构及E1跃迁性质的影响,揭示了随原子核电荷数Z变化时,跃迁能、振子强度强烈依赖于量子数n,l,j变化的规律;同时,目前的计算结果与其他已有的理论计算及实验测量结果进行了比较.

铜原子单激发态3d104p2P1/2的光电离（英文）

铜原子能级结构的理论计算具有非常大的挑战性。本文基于多组态Dirac-Hartree-Fock(MCDHF)方法和相对论组态相互作用(RCI)方法,通过三个大规模的关联模型计算了单激发态3d^104p2P1/2、双激发态3d94s(3D)5s4D3/2,1/2,3d94s(3D)5s2D3/2,3d94s(1D)5s2D3/2以及离子态3d101S0能级和波函数。结果表明,铜原子能级结构对有限组态空间的选择极其敏感,双激发态3d94s(3D)5s4D3/2,1/2,3d94s(3D)5s2D3/2,3d94s(1D)5s2D3/2和离子态3d101S0与单激发态之间的能量差相对于已有实验结果均存在大约-0.4 e V的偏差,而计算得到的共振电子能量与实验结果符合得较好。此外,根据辐射跃迁矩阵元和非辐射跃迁矩阵元计算了双激发态的Fano参数q,并基于Fano理论得到了铜单激发态3d^104p2P1/2的总光电离截面,该理论考虑了直接光电离与光激发自电离之间的干涉效应,即共振3d94s(3D)5s4D3/2,1/2、3d94s(3D)5s2D3/2和3d94s(1D)5s2D3/2具有明显的非对称的Fano轮廓,表明光电离过程与光激发自电离过程之间的干涉对双激发态共振附近的光电离截面轮廓有着极其重要的影响。