Relativistic coupled-cluster single-double calculations of positron-atom bound states

Abstract

Relativistic coupled-cluster single-double approximation is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg where a number of accurate calculations is available. It is then used to calculate positron binding energies for a range of open-shell transition metal atoms from Sc to Cu, from Y to Pd, and from Lu to Pt. These systems possess Feshbach resonances, which can be used to search for positron-atom binding experimentally through resonant annihilation or scattering.

submitted to Phys. Rev. A