## Diabatic (left) and adiabatic (right) potential energy curves of the *n* = 1–3 ^{3}Σ^{+} (blue, black) and ^{3}Π (red) states of HeH^{+}

**Figure 1.** Diabatic (left) and adiabatic (right) potential energy curves of the *n* = 1–3 ^{3}Σ^{+} (blue, black) and ^{3}Π (red) states of HeH^{+}. The *b* ^{3}Σ^{+} state is shown in black.

**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* ^{3}Σ^{+} state of HeH^{+} towards the nine other ^{3}Σ^{+} and 6 ^{3}Π *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.