Theoretical investigation of near-threshold photoionization of
Phys. Rev. A 114, 023102 – Published 10 August, 2026
DOI: https://doi.org/10.1103/3zbg-wcdc
Abstract
The photoionization (PI) spectrum of the molecule is modeled using a first-principles approach combining the multichannel quantum defect theory and electron scattering calculations performed using the uk r-matrix codes. The PI spectra were determined starting from the ground and several excited vibrational levels of in the ground electronic state . Excited electronic states and vibrational motion of the ion are accounted for. The spectrum obtained for the lowest vibrational level of was compared to the available experimental data. Major resonances in the obtained spectrum were characterized using the quantum defect technique.