Abstract
We report a quantum dynamics study of H + H(2)(+) (v(0) = 0, j(0) = 0) scattering on its lowest triplet state, for J = 0 total angular momentum and total energies up to 1.85 eV. This provides a benchmark example of indirect resonance-mediated reaction in presence of a conical intersection (CI). Visualization of time-dependent wave packets shows significant "looping" around the CI, which is facilitated by long-lived H(3)(+) scattering resonances, predominant at low energies. State-to-state inelastic transition probabilities exhibit a highly oscillatory structure and pronounced geometric phase effects, which, in contrast to direct reactions, are more strongly marked at lower energies.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.