类锂等电子序列(Z=31~40)2p态能量的理论计算

The theoretical calculation on the 2p state energies of lithium-like isoelectronic sequence(Z=31~40)

采用多组态相互作用法构造了类锂等电子序列(Z=31~40)2p态的波函数,通过变分法计算了体系非相对论能量,然后根据一阶微扰理论,对非相对论能量进行了电子动能项〈H1〉、达尔文项〈H2〉、电子-电子接触项〈H3〉和轨道-轨道作用项〈H4〉的一阶相对论修正.在此基础上,完成了体系能量的高精度理论计算,得到的结果与其他的理论计算结果符合的很好.

In this paper,the multi-congfiguration method is used to construct the wave function of 1s22p state for lithium-like isoelectronic sequence(Z=31~40).Based on the variational method,the non-relativistic energies of isoelectronic sequence are calculated.The results are compared with other results in the literature and found to agree well.After that,the first-order relativistic correction is determined with perturbation theory,including corrections from kinetic energy,Darwin term,electron-electron contact term,and orbit-orbit interaction.The regularities of variation for first-order relativistic correction of the series along this isoelectronic sequence are physically analyzed and discussed.Finally,the total energies of 1s22p state for lithium-like isoelectronic sequence are obtained.