Using a single-configuration formulation, analytical expressions are derived for the (X 2 ⌸ g) ns g , np u , and np u Rydberg-valence interaction matrix elements in O 2. In addition, new results from diabatic, coupled-channel deperturbations of experimental data dependent on these interactions are reported for nϭ3 and 4. Using these results, the large differences in magnitude between the Rydberg-valence couplings for the constituent states of the np u Rydberg complex that are predicted by the analytical expressions are verified experimentally. Effective values for several two-electron integrals are obtained semiempirically through comparison between analytical expressions and deperturbed experimental values for the Rydberg-state energies and Rydberg-valence couplings, allowing predictions to be made for the spectroscopy of the np u 1 ⌺ u Ϫ Rydberg states which have yet to be observed.
Spin-orbit interaction activated interchannel coupling (SOIAIC) has been investigated theoretically in the time delay domain for 3d photoemission in the isoelectronic sequence I − , Xe and Cs + using the relativistic-random-phase approximation with relaxation (RRPA-R). The results show that SOIAIC becomes more important with increasing nuclear charge, and that time delay is affected more strongly than cross sections or photoelectron angular distribution β parameters.
We uncover dramatic variations of the Wigner photoemission time delay with energy and angle in the vicinity of a Fano resonance with the time delay taking opposite signs at different angles at the same energy as well as at the opposite sides of the resonance at the same angle. These variations are illustrated by choosing the Ne 2s → 3p autoionizing state as a case study. Moreover, we demonstrate the existence of strikingly significant changes in time delay due to relativistic effects despite Ne being a low-Z atom. This finding shows the possibility for utilizing time delay chronoscopy as a new route towards experimental probing of relativistic interactions and the phases of individual transition matrix elements upon atomic photoionization of low-Z atoms. Finally, we develop a practical parameterization to model and explain the angle and energy variation of the autoionizing resonance time delay in the non-relativistic limit.
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