Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H
Boyi Zhou, Benhui Yang, N. Balakrishnan, Brian K. Kendrick, P. C. Stancil
Abstract
Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD(v = 1, j = 0) + H → D + H2(v′ = 0, j′) at collision energies between 1 and 10 000 cm–1 are presented, and a Feshbach resonance in the low-energy regime, below the reaction barrier, is observed for the first time. The resonance is attributed to coupling with the vibrationally adiabatic potential correlating to the v = 1, j = 1 level of the HD molecule, and it is dominated by the contribution from a single partial wave. The properties of the resonance, such as its dynamic behavior, phase behavior, and lifetime, are discussed.