A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is th...A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is then treated in a semiempirical core polarization potential. As an application, the polarization properties of alkali metal atoms, including the static polarizabilities and long-range two-body dispersion coefficients, have been calculated. Our results are in good agreement with the results obtained from ab initio relativistic many-body perturbation method and the available experimental measurements.展开更多
The 4s4p excitation energies and the 4s24s4pE1 transitions for zinc-like ions from Z = 48 to 54 are calculated by the multi-configuration Dirac-Hartree-Fock （MCDHF） method in this paper. The results for fine-structu...The 4s4p excitation energies and the 4s24s4pE1 transitions for zinc-like ions from Z = 48 to 54 are calculated by the multi-configuration Dirac-Hartree-Fock （MCDHF） method in this paper. The results for fine-structure energy levels, wavelengths and lifetimes between Z = 48 （Cd） and Z = 54 （Xe） are presented and compared with other theoretical and experimental results. The calculated values including core-valence correlation are found to be very similar to other theoretical and experimental values. We believe that our calculated values can guide experimentalists in identifying the fine-structure levels in their future work.展开更多
基金supported by the National Basic Research Program of China(Grant No.2012CB821305)the National Natural Science Foundation of China(Grant Nos.11034009 and 11274246)
文摘A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is then treated in a semiempirical core polarization potential. As an application, the polarization properties of alkali metal atoms, including the static polarizabilities and long-range two-body dispersion coefficients, have been calculated. Our results are in good agreement with the results obtained from ab initio relativistic many-body perturbation method and the available experimental measurements.
基金Project supported by the National High Technology Research and Development Program of Chinathe National Natural Science Foundation of China (Grant No. 10874156)the Key Science and Technology Foundation of the China Academy of Engineering Physics (Grant No. 2010A0102003)
文摘The 4s4p excitation energies and the 4s24s4pE1 transitions for zinc-like ions from Z = 48 to 54 are calculated by the multi-configuration Dirac-Hartree-Fock （MCDHF） method in this paper. The results for fine-structure energy levels, wavelengths and lifetimes between Z = 48 （Cd） and Z = 54 （Xe） are presented and compared with other theoretical and experimental results. The calculated values including core-valence correlation are found to be very similar to other theoretical and experimental values. We believe that our calculated values can guide experimentalists in identifying the fine-structure levels in their future work.
基金National Natural Science Foundation of China(Nos.11764035,11964031,12064037)Natural Science Foundation of Gansu Province(Nos.18JR3RE246,20JR10RA793)Tianshui Normal University“QinglanTalents”Project。
