Trends in valence autoionizing Rydbergs for nd5 semifilled-shell ground and excited atoms and ions: Cr, Mn, Mn+, Fe+, Fe2+, Mo, Tc, Tc+ and Re

Document Type


Publication Date



New regularities are reported for valence-shell autoionizing nd → n′p Rydbergs decaying to a continuous spectrum of the (n + 1)sq valence subshell of free metal atoms and ions with nd5 semifilled subshells: Cr(3d54s17S), Mn(3d54s26S), Mn+(3d54s17S), Fe+(3d54s2 6S), Fe2+(3d54s17S), Mo(4d55s17S), Tc(4d55s26S), Tc+(4d55s17S) and Re(5d56s26S). We predict an extreme narrowing for the nd → n′p autoionizing Rydbergs in the nd5 atoms and ions with a ground-state nd5(n + 1)sq=17S valence-shell configuration. In contrast, incomparably broader Rydbergs occur in both atoms and ions with a ground configuration nd5(n + 1)sq=26S, or in metastable atoms and ions whose electron configuration is nd5 (n + 1)sq=15S. We also predict a drastic difference between the nd → n′p Rydberg profiles in partial (n + 1)s↑ and (n + 1)s↓, photoionization cross sections of the nd5 atoms and ions with a closed (n + 1)s2 valence subshell (arrows ↑ and ↓ show the two possible spin orientations for the ejected photoelectrons). The regularities disappear for atoms and ions with other than an nd5 semifilled subshell. The research is performed within both the 'spin-polarized' Hartree-Fock approach and the 'spin-polarized' random-phase approximation with exchange.

Publication Title

Journal of Physics B: Atomic, Molecular and Optical Physics

This document is currently not available here.