Cross section for the radiative association of He+ (1s) and H(1s) towards the fundamental X 1Σ+ state via the A 1Σ+ channel, with (black full line) and without (black dotted line) taking its vibrational dependence into account

Figure 6. Cross section for the radiative association of He+ (1s) and H(1s) towards the fundamental X 1Σ+ state via the A 1Σ+ channel, with (black full line) and without (black dotted line) taking its vibrational dependence into account. The results are compared with those of Kraemer et al (1995) (red dashed line).

Abstract

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 b 3Σ+ state of HeH+ towards the nine other 3Σ+ and 6 3Π n = 2, 3 higher lying electronic states are calculated, using the autocorrelation method introduced by Heller (1978 J. Chem. Phys. 68 3891) and the method based on the asymptotic behaviour of wavepackets introduced by Balint-Kurti et al (1990 J. Chem. Soc. Faraday Trans. 86 1741). The corresponding radiative association cross sections are extracted from the same calculations, and the photodissociation and radiative association rate constants are determined.