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arXiv · 1301.5547

Determination of photodissociation and radiative association cross sections from the same time-dependent calculation

S. Vranckx·J. Loreau·M. Desouter-Lecomte·N. Vaeck
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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 thirty-three vibrational levels of the b triplet {\Sigma}+ state of HeH+ towards the 9 other triplet {\Sigma}+ and 6 triplet {\Pi} n = 2, 3 higher-lying electronic states are calculated. The corresponding radiative association cross sections are extracted from the same calculations, and the photodissociation and radiative association rate constants are determined.

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S. Vranckx, J. Loreau, M. Desouter-Lecomte, N. Vaeck. 2013-01-23. Determination of photodissociation and radiative association cross sections from the same time-dependent calculation. https://doi.org/10.1088/0953-4075/46/15/155201

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