Orbitals observed by Electron Momentum Spectroscopy

Abstract

Numerical representations of Dyson orbitals can be extracted from the experimental data of electron momentum spectroscopy (EMS). These orbitals are solutions of the quasiparticle equation for the target electronic system. They closely obey the weak-coupling approximation. This defines a normalized Dyson orbital in terms of the sum of EMS cross sections for an orbital manifold of ion states whose momentum profiles have the same shape. Normalized Dyson orbitals are closely related to the orbitals of density functional theory. They are realistic in the sense that they give an independent-particle approximation to the target structure that reproduces experimental data, including molecular data obtained from experiments independent of EMS.