Relaxation and final-state channel mixing in the Auger effect

Fundamental Aspects of Atomic Photoionization with High-Brightness Light Sources

“…Effects of nonorthogonal overlap integrals should also be included. [44] The 1s, 2s, and 2p orbitals are shown in Figure 6. Clearly the region r 1 = r 2 = 1.8 is where P 2s and P 2p have their maximum values.…”

The core electron shake phenomenon

“…This corresponds to the first-order result that the Koopman's theorem state forms the baricenter of the relaxed core ionized states. Since there is a considerable structure in the discrete-continuum interaction [16, 29,30], the core hole band becomes both shifted from Ed and asymmetrized in order to keep the baricenter of the spectrum at Ed also including this interaction.…”

Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters

“…Fano formalism In order to calculate the non-radiative decay widths of excited doubly ionized states of clusters we utilize the general approach introduced by Fano [24] and adapted by Howat et al. [25] to the specific case of Auger decay. The basic assumption is that at some energy E close to the energy E res of the decaying state (resonance) the exact continuum wave function has the following "bound state in the continuum" character, |Ψ α,E = a α (E)|Φ + Nc β=1 C β,α (E, ǫ)|χ β,ǫ dǫ (α = 1, .…”

“…The shape of the coefficient a α (E) describing the dilution of the discrete state |Φ throughout a band of continuum states is obtained by solving the system (3) (for detailed derivation see Refs. [24,25]):…”