Search

Energy levels of the core-excited high-spin Rydberg states (4,5,6L, L = S, P) in boron atom (ion) are calculated by the Rayleigh-Ritz variation method with using large-scale multi-configuration wave functions. The important orbital-spin angular momentum partial waves are selected based on the rule of configuration interaction. The computational convergence is discussed by the example of the contribution from each partial wave in the non-relativistic energy calculations of the high-spin state 1s2s2p2 5Pe in B+ ion. To saturate the wave functional space and improve the non-relativistic energy, the restricted variational method is used to calculate the restricted variational energy. Furthermore, the mass polarization effect and relativistic energy correction are included by using a first-order perturbation theory. The quantum electrodynamic effects and higher-order relativistic contributions to the energy levels are also calculated by the screened hydrogenic formula. Then, the accurate relativistic energy levels of these high-spin states of B atom (ion) are obtained by adding the non-relativistic energy and all corrections. The fine structure splitting of these high-spin states is also calculated by the Breit-Pauli operators in the first-order perturbation theory. Compared with other theoretical results, our calculation results are in good accordance with the experimental data. The absorption oscillator strengths, emission oscillator strengths, absorption rates, emission rates, and transition wavelengths of the electric-dipole transitions between these high-spin states of B atom (ions) are systematically calculated by using the optimized wave functions. The oscillator strengths and transition rates are obtained in both the length and velocity gauges. By comparing the two gauge results of oscillator strength, we find that there is a good consistency between them when fl 0.3, and a reasonable consistency is obtained when fl 0.3. The accordance between the length and the velocity gauge results reflects that the calculated wave functions in this work are reasonably accurate. The calculated transition data are also compared with the corresponding experimental and other theoretical data. Good agreement is obtained except the wavelengths for two transitions: 1s2p4p 4Se1s2p3d 4P and 1s2p4d 4P1s2p3p 4Pe. The relative differences between our theoretical results and experimental data are 0.7% and 0.3%, respectively. They need to be verified by further theoretical and experimental studies. For some core-excited high-spin states, the related energy levels and transition data are reported for the first time. Our calculation results will provide valuable data for calculating the spectral lines in the relevant experiments.

The hyperspherical method is used to study the electron correlation energy，radiative transition rate and Auger transition rate of the highly-doubly-excited states of He-like oxygen.All these doubly-excited Rydberg states are designated by quantum numbers K，T，A.The results show that properties such as the energy，radiative and Auger transition rate regularly change along with the quantum numbers K，T，A.

The Rayleigh-Ritz variational method is used with a multiconfiguration-interaction function to study the energies of singly excited and doubly excited Rydberg series in helium atom, including the mass polarization and relativistic corrections. The oscillator strengths, the transition rates, and the wavelengths are also calculated. The results are compared with other theoretical and experimental data in the literatures.

The saddle-point variational method is used with restricted variation method to obtain the energies of the core-excited states 1s2smd4De(m=3—7) and 1s2pnd4Do(n=3—5) for lithium, including the mass polarization and relativistic corrections. Oscillator strengths, transition rates, lifetimes and wavelengths are also calculated. The results are compared with other theoretical and experiment data in the literature.

The Rayleigh-Ritz variational method is used with a multiconfiguration-interaction function and restricted variation method to obtain the energies of 1s22s2 1S, 1s22s2p1P0, 1s22s2p3P0 and 1s22p2 3P in beryllium-like boron, including the mass polarization and relativistic corrections. Fine structure, oscillator strengths, transition rates and wavelengths are also calculated. The results are compared with other theoretical and experiment data in the literature.

The energies , fine structures and lifetimes of the 2s2s2p2P0 and 2s2p2p2D triply excited states of the Li isoelectronic sequence are calculated using multichannel saddle-point and saddle-point complex-rotation methods. A restricted variational method is used to extrapolate a better nonrelativistic energy. The relativistic corrections are calculated with first-order perturbation theory. The shifts and widths are studied with one open channel at a time as well as fully coupled open channels. The radiative transition rates and the fine-structure splittings for the 2P0 and 2D states are also calculated. These results are compared with the existing theoretical and experimental data in the literature.

The radiative and Auger rates are calculated for doubly excited intersh-ell states of Ar16+. We adopt the conventional infiguration interraction CI app-roach, bul each state is labelled using the n(K,T)NA2s+1Lπ designation. lt is shown that, to intrashell states which all have A = +1, these states decay prima-rily by auger process and radiative decay contributed significantly only for the hi-ghest states within a given manifoid, but to intershell states the Auger widths are much smaller tor A =-1 and A = 0 states. For these states the flourescence yield may become non-negligible. The approximate selection rule v=- 0,±1 for radiative decay holds for these states as well.