Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions

ORAL

Abstract

Collisions of H2 and its deuterated counterpart HD play a crucial role in the chemistry of the early universe, cold interstellar media (ISM), star forming regions, and planetary atmospheres. These systems also serve as prototypes for quantum calculations of diatom-diatom collisions. Here, we report full-dimensional quantum scattering calculations of ro-vibrational transitions in HD+HD collisions on a highly accurate interaction potential for the H2-H2 system. The computed results are in agreement with total cross sections reported in previous experimental results, including resonant features in the energy dependence of the cross section. In particular, low-energy cross sections show a strong resonant feature associated with an l=3 partial wave in the incident channel. Several near-resonant ro-vibrational transitions are identified that conserve the overall rotational angular momentum and nearly conserve the internal energy of the collision partners. 

*This work is supported in part by  grant No. PHY-2409497 (N. B.) from NSF and the European Union (Grant No 101075678, ERC-2022-STG, H2TRAP).

Presenters

  • Bikramaditya Mandal

    • University of Nevada, Las Vegas

Authors

  • Bikramaditya Mandal

    • University of Nevada, Las Vegas
  • Hubert Jóźwiak

    • Nicolaus Copernicus University in Toruń, Poland
    • Nicolaus Copernicus University, Poland
  • Piotr Wcisło

    • Nicolaus Copernicus University in Toruń
    • Nicolaus Copernicus University in Toruń, Poland
    • Nicolaus Copernicus University, Poland
  • Balakrishnan Naduvalath

    • University of Nevada, Las Vegas