Calculations of Configurations of Doubly Ionized Copper (Cu III).

Abstract

The energy levels belonging to the configurations 3d ⁷4s ² and 3d ⁸ nℓ (nℓ = 4s, 5s, 4p 5p, 4d 5d 4f, and 5g) have been calculated. The radial energy integrals were treated as parameters and adjusted to give a least-squares fit to the observed levels. Two- and three-body effective electrostatic interactions for equivalent electrons were included, as well as two-body effective interactions for inequivalent electrons. Strong configuration interaction between 3d ⁷4s ² and 3d ⁸4d was taken into account. Values of the parameters are given for all the above configurations, and the calculated levels are given for all except 3d ⁸4s and 3d ⁸4p (for which essentially equivalent results have been published). Leading eigenvector percentages are given in appropriate coupling schemes.