A theory of transfer ionization. II. Frozen-orbital and hole-state approximations to the autoionizing initial state of the process He++Mg to He+Mg2++e

Abstract

For pt.I see ibid., vol.8, p.460 (1975). Cross sections for the transfer ionization process, He⁺+Mg to He+Mg²⁺+e, have been calculated using several different approximations for the wavefunction of the initial electronic state. The first was a frozen-orbital calculation using molecular orbitals associated with the neutral diatomic species HeMg. The second was a quasi-stabilization calculation involving configuration interaction among several frozen-orbital-type states. The final calculation used the hole-state model of Schwartz (1970) and of Bagus and Schaefer (1971). A critical analysis is made of these three methods and estimates provided for their conditions of applicability. Specifically, the results lead us to question whether the hole-state model is appropriate at all to this system.