Application of slater's transition state theory to the core-level binding energies of simple metals in atom in jellium model

Abstract

The core-level binding energies for the free electron metals Na, Mg, Al, Cd, In and Sn are reported using Slater's transition state theory. The calculations have been performed within the atom-in-jellium-vacancy model. The results compare very well with the experimental binding energies obtained and those obtained via ΔSCF calculations reported by Nieminen and Puska, indicating that the transition state theory offers a viable alternative to the Δ SCF procedure. The advantages of the transition state theory are pointed out.