Quantum reaction dynamics of ultracold O + OH collisions

ORAL

Abstract

Quantum scattering calculations of the O + OH($v=0$, $j=0$) $\to$ H + O$_2$($v'=0-3$, $j'$) reaction are presented for the electronically adiabatic ground state $^2A''$ potential energy surface of HO$_2$. A numerically exact three-dimensional time-independent scattering method based on hyperspherical coordinates is used to compute rotationally resolved reaction probabilities, cross sections, and non-thermal rate coefficients. Total and vibrationally resolved scattering results are also presented. The scattering calculations span a wide range of collision energies between ultra-cold ($1.16\,\mu$K) and thermal ($298$ K) and include several values of total total angular momentum $J=0-3$. Interesting enhancements in the ultra-cold cross sections are observed for many of the transitions which are attributed to the presence of quantum resonances associated with the HO$_2$ complex.

Authors

  • Brian Kendrick

    Los Alamos National Laboratory

  • Jisha Hazra

    University of Nevada Las Vegas, Department of Chemistry, University of Nevada, Las Vegas, NV 89154, Department of Chemistry, University of Nevada Las Vegas, Las Vegas, NV 89154, Univerity of Nevada Las Vegas

  • Gagan Pradhan

    University of Nevada Las Vegas

  • Balakrishnan Naduvalath

    University of Nevada Las Vegas, Department of Chemistry, University of Nevada, Las Vegas, NV 89154, Department of Chemistry, University of Nevada Las Vegas, Las Vegas, NV 89154, UNLV