X alpha Calculation of Transition Energies in Multiply Ionized Atoms.

摘要

The X alpha method has been applied to the calculation of ionization energies in multiply ionized atoms. It is shown that the accuracy of calculations can be improved if appropriate (different) values of alpha are used for each configuration. Alternatively,one can use the Slater transition state,wherein a total energy difference is related to a difference in single-electron eigenvalues. By a series expansion,the value of alpha for an excited configuration can be related to its value for the ground-state configuration. The terms Delta alpha(deleE/del/alpha),thus introduced,exhibit a similar dependence on atomic number as the ground-state values of alpha. Results of sample calculations are reported and compared with experiment. (Author)