Photoelectron–remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events

Abstract

Low-kinetic energy photoelectron detachment experiments have revealed the unexpected dependence of transition intensities on photon energy, which is hypothesized to result from time-dependent coupling between low-kinetic energy photoelectrons and the remnant molecule. This study explores how the kinetic energy and detachment axis of the photoelectron influence the interaction and modify the final remnant electronic structure. Using real-time simulations on several model systems (H2, NO, N2, and C2 hydrocarbons), this study demonstrates that electron–remnant interactions are strongly dependent on the detachment orientation, electron kinetic energy, and remnant electronic structure. The results reveal that higher kinetic energies lead to significant nonadiabatic transitions, while lower kinetic energies yield more adiabatic behavior. While generally lower kinetic energies show prolonged electron–remnant interactions, the extent of temporal and spatial interactions does not necessarily vary linearly with the kinetic energy, and the final remnant electronic structure is found to be very sensitive to the exact nature of the photoelectron–remnant interactions. In addition, the point charge model employed for the photoelectron provides a useful approach for the deconvolution of more complete simulations to provide deeper insights into the specific photoelectron–remnant interactions that determine the eventual remnant wavefunction. The findings underscore the importance of considering both temporal and spatial electron dynamics in understanding low-kinetic energy photodetachment processes and provide a foundation for a further exploration of electron–molecule interactions in the low-energy regime.