J an 2 00 6 Configuration Interaction calculations of positron binding to Be ( 3 P o )
The Configuration Interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s22s2p 3Po) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree with respect to the Ps + Be+(2s) lowest dissociation channel. It is likely that positron binding to parent states with non-zero angular momentum is inhibited by centrifugal barriers.
Positron and positronium interactions with Cu
The configuration-interaction (CI) method is used to investigate the interactions of positrons and positronium with copper at low energies. The calculations were performed within the framework of the fixed-core approximation with semiempirical polarization potentials used to model dynamical interactions between the active particles and the (1s-3d) core. Initially, calculations upon the e{sup +}Li system were used to refine the numerical procedures and highlighted the extreme difficulties of using an orthodox CI calculation to describe the e{sup +} Li system. The positron binding energy of e{sup +}Cu derived from a CI calculation which included electron and positron orbitals with l{<=}18 was 0.005 12 hartree while the spin-averaged annihilation rate was 0.507x10{sup 9} s{sup -1}. The configuration basis used for the bound-state calculation was also used as a part of the trial wave function for a Kohn variational calculation of positron-copper scattering. The positron-copper system has a scattering length of about 13.1a{sub 0} and the annihilation parameter Z{sub eff} at threshold was 72.9. The dipole polarizability of the neutral copper ground state was computed and found to be 41.6a{sub 0}{sup 3}. The structure of CuPs was also studied with the CI method and it was found to have a binding energy ofmore » 0.0143 hartree and an annihilation rate of {approx}2x10{sup 9} s{sup -1}.« less
The use of model potentials in oscillator strength calculations
We review recent calculations of oscillator strengths for medium to heavy ions in which the influence of the core on the valence electrons has been treated by the use of model potentials. In particular, we consider core polarisation both with model potentials and with explicit configuration interaction, so that valence-shell correlation is incorporated in the same way in both approaches. These two approaches yield very similar results. This allows the confident use of model potentials for heavy ions and atoms, thus saving considerable computer time when compared with all-electron calculations.