Potential energy and dipole moment surfaces of H$_3^-$ molecule

ORAL

Abstract

A new potential energy surface for the electronic ground state of the simplest triatomic anion H$_3^-$ is determined for a large number of geometries. Its accuracy is improved at both short and large distances compared to previous studies. The permanent dipole moment surface of this state is also computed for the first time. Nine vibrational levels of H$_3^-$ and fourteen levels of D$_3^-$ are obtained, bound by at most $\sim 70$cm$^{-1}$ and $\sim 126$cm$^{-1}$ respectively. These results should guide the spectroscopic search of the H$_3^-$ ion in cold gases (below 100K) of molecular hydrogen in the presence of H$^-$ ions.

*Supported by Triangle de la Physique contract QCCM.

Authors

  • Olivier Dulieu

    • Laboratoire Aim\'e Cotton, CNRS, Universit\'e de Paris Sud, Orsay, France
  • Mehdi Ayouz

    • Laboratoire Aime Cotton, U Paris-XI, CNRS, Orsay
    • Laboratoire Aim\'e Cotton, CNRS, Universit\'e de Paris Sud, Orsay, France
  • Romain Gu\'erout

    • Laboratoire Kastler-Brossel, Paris, France
    • Laboratoire Aim\'e Cotton, CNRS, Universit\'e de Paris Sud, Orsay, France
  • Jacques Robert

    • Laboratoire Aim\'e Cotton, CNRS, Universit\'e de Paris Sud, Orsay, France
  • Viatcheslav Kokoouline

    • Department of Physics, University of Central Florida, Orlando, Florida 32816