Full-dimensional quantum dynamics calculations of H$_2-$H$_2$ collisions

POSTER

Abstract

We report quantum dynamics calculations of rotational and vibrational energy transfer in collisions between two para-H$_2$ molecules over collision energies spanning from the ultracold limit to thermal energies. Results obtained using a recent full-dimensional H$_4$ potential energy surface (PES) developed by Hinde [J. Chem. Phys. {\bf 128}, 154308 (2008)] are compared with those derived from the BMKP PES [J. Chem. Phys. {\bf 116}, 666 (2002)]. For vibrational relaxation of H$_2(v=1,j=0)$ by collisions with H$_2(v=0,j=0)$ as well as rotational excitations in collisions between ground state H$_2$ molecules, the PES of Hinde is found to yield results in better agreement with available experimental data. However, for highly efficient near-resonant rovibrational transitions that conserve the internal rotational angular momentum, both PESs yield similar results. In the absence of the near-resonance mechanism vibrational relaxation is driven by the anisotropy of the potential energy surface.

*This work is supported by NSF grants PHY-0855470 (N.B) and AST-0607733 (P.C.S).

Authors

  • Balakrishnan Naduvalath

    • University of Nevada Las Vegas
  • G. Qu\`{e}m\`{e}ner

    • JILA, University of Colorado, Boulder
    • JILA, NIST and University of Colorado
  • Robert Forrey

    • Penn State University, Berks Campus
    • Penn State, Berks Campus
    • Pennsylvania State University
    • Penn State University
  • P.C. Stancil

    • University of Georgia
    • University of Georgia, Athens
    • Department of Physics and Astronomy, Univesity of Georgia, Athenas, Ga 30602, USA