Quantum reactive scattering of O(¹D)+H₂ and O(¹D)+HD

Abstract

A recently developed wavepacket method is applied to study the quantum dynamics of the reactions O(¹D)+H₂→OH+H and O(¹D) +HD→OH(OD)+D(H). The abinitio based, global, 1A′ potential energy surface of Ho etal. is employed. The results of three-dimensional, total angular momentum J=0 scattering calculations are presented and discussed, with emphasis on qualitative features of the dynamics.

References

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