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Geometric phase effects in the ultracold H + H2 reaction
B K Kendrick1, Jisha Hazra2, N Balakrishnan2
1Theoretical Division (T-1, MS B221), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Geometric phase (GP) effects are observed in the H + H2 reaction rate coefficients, persisting at ultracold temperatures. These findings provide new, verifiable signatures of GP effects in this fundamental chemical reaction.
Area of Science:
- Chemical Physics
- Quantum Dynamics
- Reaction Kinetics
Background:
- The H3 system is a key prototype for studying geometric phase (GP) effects in bimolecular reactions.
- Previous research lacked conclusive evidence of GP effects in integral cross sections or reaction rates.
Purpose of the Study:
- To provide a detailed account of GP effects in the H + H2 reaction rate coefficients.
- To investigate GP effects in the ultracold regime and their influence on resonances.
Main Methods:
- Quantum dynamics calculations for the H + H2 reaction.
- Analysis of vibrationally resolved and total rate coefficients.
- Examination of rotationally resolved differential cross sections.
Main Results:
- GP effects persist in rate coefficients up to 10 K for H + H2(v=4, j=0).
- GP effects manifest as oscillatory structures in differential cross sections.
- GP effects suppress a shape resonance near 1 K and enhance one near 8 K.
Conclusions:
- GP effects are experimentally verifiable in the fundamental hydrogen exchange reaction.
- GP effects in D + D2 and T + T2 reactions are explored in the ultracold limit.
- The study highlights the sensitivity of GP effects to the potential energy surface.
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