Rovibrational analysis of the XUV photodissociation of HeH{sup +} ions
- Institute for Theoretical Atomic, Molecular and Optical Physics, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138 (United States)
- Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium)
- Laboratoire de Chimie Quantique et Photophysique, Universite Libre de Bruxelles, CP160/09, B-1050 Bruxelles (Belgium)
We investigate the dynamics of the photodissociation of the helium hydride ion HeH{sup +} by XUV radiation with the aim to establish a detailed comparison with a recent experimental work carried out at the FLASH free electron laser using both vibrationally hot and cold ions. We determine the corresponding rovibrational distributions using a dissociative charge transfer setup and the same source conditions as in the FLASH experiment. Using a nonadiabatic time-dependent wave-packet method, we calculate the partial photodissociation cross sections for the n=1-3 coupled electronic states of HeH{sup +}. We find good agreement with the experiment for the cross section into the He + H{sup +} dissociative channel. On the other hand, we show that the experimental observation of the importance of the electronic states with n>3 cannot be well explained theoretically, especially for cold (v=0) ions. We find a good agreement with the experiment on the relative contribution of the {Sigma} and {Pi} states to the cross section for the He{sup +} + H channel, but only a qualitative one for the He + H{sup +} channel. We discuss the factors that could explain the remaining discrepancies between theory and experiment.
- OSTI ID:
- 22093561
- Journal Information:
- Physical Review. A, Vol. 84, Issue 5; Other Information: (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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