Full-dimensional quantum rovibrational scattering of SO with H$_2$

POSTER

Abstract

Molecular collisional rate coefficients are required to predict the abundance of molecular gas in the interstellar medium. SO has been widely observed in a variety interstellar regions and its collisional rate coefficients with the dominant collision partner H$_2$ are of astrophysical importance. We present a quantum close-coupling study of rovibrationally inelastic scattering of SO with H$_2$. A six-dimensional (6D) potential energy surface (PES) was constructed with high-level ab initio calculations and an invariant polynomial fitting. The scattering calculations were carried out for both rotational and rovibrational transitions of SO induced by H$_2$. Cross sections for rotational transitions from $j_1$=0-10 of SO in the ground vibrational state were computed for collision energies ranging from 1 to 3000 cm$^{-1}$. The rotational rate coefficients are compared with previous theoretical results obtained within a rigid-rotor approximation. For rovibrational transitions, state-to-state quenching cross sections and rate coefficients were calculated for the vibrational quenching of SO from ($v_1=1, j_1$), $j_1$=0-5. Cross sections for collision energies in the range 1 to 3000 cm$^{-1}$ and rate coefficients ranging from 5 to 600 K are presented.

*Work at UGA and Emory are supported by NASA grant No. NNX16AF09G, at UNLV by NSF Grant No. PHY-1505557, and at Penn State by NSF Grant No. PHY-1503615.

Authors

  • Benhui Yang

    • University of Georgia
  • Peng Zhang

    • Duke University
  • Chen Qu

    • Emory University
  • Phillip Stancil

    • University of Georgia
  • Joel Bowman

    • Emory University
  • N. Balakrishnan

    • University of Nevada, Las Vegas
  • Robert Forrey

    • Penn State University, Berks Campus