用Dirac-Fock计算方法对类镁离子价电子体系的研究

类镁离子在天体物理、等离子体物理等研究领域的研究中都有非常重要的作用.在多组态Dirac-Fock方法的框架下,考虑相对论多组态相互作用,计算出了类镁等电子数系列3s2-3s3p跃迁的各种原子结构参数,其中考虑了价电子与价电子、价电子与原子实内的电子以及原子实内电子之间的关联效应.在计算中,初态和末态不能相同,还要独立...

Multi-configuration Dirac-Fock Calculations on Multi-valence-electron Systems:Benchmarks on Mg-like Ions

Results from valence-valence,core-valence and core-core multiconfiguration Dirac-Fock(MCDF) and relativistic configuration interaction calculations(RCI) including the Breit interaction are presented for the 3s2-3s3p transition in the Mg isoelectronic sequence.In the calculations the orbital sets of the initial-state and final-state wavefunctions are not restricted to be the same,but are independently.The evaluation of the transition matrix elements is done with an efficient transformation technique.The calculated energy separations and transition probabilities are found to be in good agreement with experiment and consist with other recent calculations.The calculated values including core-valence correlation are found to be similar and agree very well with other theoretical and experimental values.The extensive calculated values may be useful in indentifying the fine-structure levels in the experiments.