Physics – Chemical Physics
Scientific paper
2011-11-10
Physics
Chemical Physics
9 pages, 9 figures. Accepted for publication in Physical Review A
Scientific paper
A close coupling quantum-mechanical calculation is performed for rotational energy transfer in a HD+HD collision at very low energy, down to the ultracold temperatures: $T \sim 10^{-8}$ K. A global six-dimensional H$_2$-H$_2$ potential energy surface is adopted from a previous work [Boothroyd {\it et al.}, J. Chem. Phys., {\bf 116}, 666 (2002).] State-resolved integral cross sections $\sigma_{ij\rightarrow i'j'}(\varepsilon_{kin})$ of different quantum-mechanical rotational transitions $ij\rightarrow i'j'$ in the HD molecules and corresponding state-resolved thermal rate coefficients $k_{ij\rightarrow i'j'}(T)$ have been computed. Additionally, for comparison, H$_2$+H$_2$ calculations for a few selected rotational transitions have also been performed. The hydrogen and deuterated hydrogen molecules are treated as rigid rotors in this work. A pronounced isotope effect is identified in the cross sections of these collisions at low and ultracold temperatures.
Adhikari Sadhan K.
Guster Dennis
Sultanov Renat A.
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