2025/04/15 by Laiz R. Ventura, Ramon S. da Silva, Ventura, Laiz R. +7
Engineering · Physics and Astronomy · #Atomic Physics (physics.atom-ph) #Atomic and Molecular Physics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Laser-induced spectroscopy and plasma #Quantum Chromodynamics and Particle Interactions
paper · pdf · doi:10.48550/arxiv.2504.10780
openalex publication_date 2025/04/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
This work presents a perturbative calculation methodology for evaluating the energy shifts and broadening of vibrational energy levels, caused by interactions between bound and unbound dissociative electronic states. The method is validated against previously semiclassical analyzed cases, demonstrating remarkable consistency. We successfully applied this approach to the N2 molecule, which exhibits a strong spin-orbit interaction between the bound C''5Πu and the repulsive 17Σ+u electronic states, around 36 cm-1. This interaction constitutes an major pathway for N(2D) production, important in both excitation and quenching in plasma afterglows. As a result, the maximum absolute shift of 0.15 cm-1 was found for the C''5Πu (v = 7) and maximum broadening of 0.45 cm-1 was calculated for v = 8, demonstrating significant perturbation of the C''5Πu by the 17Σ+u state. The results obtained were compared with direct calculations of the predissociation rates of the C''5Πu bound state, showing very good agreement.