10.6084/m9.figshare.1012305.v1
S Vranckx
J Loreau
M Desouter-Lecomte
N Vaeck
Rate constants for the radiative association of He(1s3s <sup>3</sup>S) + H<sup>+</sup> (black curves), He(1s3p <sup>3</sup>P<sup>o</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
2013
IOP Publishing
section
wavepacket
HeH
method
radiative association rate constants
radiative association
33 vibrational levels
chem
photodissociation
2013-07-09 00:00:00
article
https://iop.figshare.com/articles/figure/_Rate_constants_for_the_radiative_association_of_He_1s3s_sup_3_sup_S_H_sup_sup_black_curves_He_1s3p_/1012305
<p><strong>Figure 9.</strong> Rate constants for the radiative association of He(1s3s <sup>3</sup>S) + H<sup>+</sup> (black curves), He(1s3p <sup>3</sup>P<sup>o</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>