Geometric phase effects in ultracold chemistry

POSTER

Abstract

In molecules, the geometric phase, also known as Berry's phase, originates from the adiabatic transport of the electronic wavefunction when the nuclei follow a closed path encircling a conical intersection between two electronic potential energy surfaces. It is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. It arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. Illustrative results are presented for the O+OH$\to$H+O$_2$ reaction and for hydrogen exchange in H+H$_2$ and D+HD reactions. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime.

Authors

  • Jisha Hazra

    Department of Chemistry, University of Nevada, Las Vegas, University of Nevada, Las Vegas, Department of Chemistry, University of Nevada Las Vegas

  • N. Balakrishnan

    Department of Chemistry, University of Nevada, Las Vegas, University of Nevada, Las Vegas, Department of Chemistry, University of Nevada Las Vegas

  • Brian Kendrick

    Theoretical Division (T-1, MS B221), Los Alamos National Laboratory, Los Alamos Natl Lab