Journal
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
Volume 46, Issue 15, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/0953-4075/46/15/155201
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Funding
- Fonds de la Recherche Scientifique-FNRS under IISN grant [4.45.04.10]
- Communaute francaise of Belgium (Action de Recherche Concertee) [AUWB 08/13 ULB-3 ATMOS]
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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)Sigma(+) state of HeH+ towards the nine other (3)Sigma(+) and 6 (3)Pi 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.
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