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