10.6084/m9.figshare.1012303.v1 S Vranckx S Vranckx J Loreau J Loreau M Desouter-Lecomte M Desouter-Lecomte N Vaeck N Vaeck Cross sections for the radiative association of He(1s3s <sup>3</sup>S) + H<sup>+</sup> (black curves), He(1s3p <sup>3</sup>P<sup><em>o</em></sup>) + H<sup>+</sup> (red curves) and He(1s3d <sup>3</sup>S) + H<sup>+</sup> (blue curves) towards the <em>b</em> <sup>3</sup>Σ<sup>+</sup> state of HeH<sup>+</sup> with (full lines) and without (dashed lines) taking the vibrational dependence of the cross sections into account IOP Publishing 2013 radiative association rate constants section wavepacket HeH method radiative association 33 vibrational levels chem photodissociation Atomic Physics Molecular Physics 2013-07-09 00:00:00 Figure https://iop.figshare.com/articles/figure/_Cross_sections_for_the_radiative_association_of_He_1s3s_sup_3_sup_S_H_sup_sup_black_curves_He_1s3p_/1012303 <p><strong>Figure 7.</strong> Cross sections for the radiative association of He(1s3s <sup>3</sup>S) + H<sup>+</sup> (black curves), He(1s3p <sup>3</sup>P<sup><em>o</em></sup>) + H<sup>+</sup> (red curves) and He(1s3d <sup>3</sup>S) + H<sup>+</sup> (blue curves) towards the <em>b</em> <sup>3</sup>Σ<sup>+</sup> state of HeH<sup>+</sup> with (full lines) and without (dashed lines) taking the vibrational dependence of the cross sections into account.</p> <p><strong>Abstract</strong></p> <p>We illustrate some of the difficulties that may be encountered when computing photodissociation and radiative association cross sections from the same time-dependent approach based on wavepacket propagation. The total and partial photodissociation cross sections from the 33 vibrational levels of the <em>b</em> <sup>3</sup>Σ<sup>+</sup> state of HeH<sup>+</sup> towards the nine other <sup>3</sup>Σ<sup>+</sup> and 6 <sup>3</sup>Π <em>n</em> = 2, 3 higher lying electronic states are calculated, using the autocorrelation method introduced by Heller (1978 <em>J. Chem. Phys.</em> <strong>68</strong> 3891) and the method based on the asymptotic behaviour of wavepackets introduced by Balint-Kurti <em>et al</em> (1990 <em>J. Chem. Soc. Faraday Trans.</em> <strong>86</strong> 1741). The corresponding radiative association cross sections are extracted from the same calculations, and the photodissociation and radiative association rate constants are determined.</p>