title: Experimental and theoretical differential cross sections for a four-atom reaction: HD + OH → H₂O + D.
abstract: Quantum dynamical theories have progressed to the stage in which state-to-state differential cross sections can now be routinely computed with high accuracy for three-atom systems since the first such calculation was carried out more than 30 years ago for the H + H(2) system. For reactions beyond three atoms, however, highly accurate quantum dynamical calculations of differential cross sections have not been feasible. We have recently developed a quantum wave packet method to compute full-dimensional differential cross sections for four-atom reactions. Here, we report benchmark calculations carried out for the prototypical HD + OH → H(2)O + D reaction on an accurate potential energy surface that yield differential cross sections in excellent agreement with those from a high-resolution, crossed-molecular beam experiment.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning, 116023, P. R. China.
authors.forename: Chunlei
authors.initials: C
authors.lastname: Xiao
authors.forename: Xin
authors.initials: X
authors.lastname: Xu
authors.forename: Shu
authors.initials: S
authors.lastname: Liu
authors.forename: Tao
authors.initials: T
authors.lastname: Wang
authors.forename: Wenrui
authors.initials: W
authors.lastname: Dong
authors.forename: Tiangang
authors.initials: T
authors.lastname: Yang
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Sun
authors.forename: Dongxu
authors.initials: D
authors.lastname: Dai
authors.forename: Xin
authors.initials: X
authors.lastname: Xu
authors.forename: Dong H
authors.initials: DH
authors.lastname: Zhang
authors.forename: Xueming
authors.initials: X
authors.lastname: Yang