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Rovibrational analysis of the XUV photodissociation of HeH+ ions

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Loreau, J. [Institute for Theoretical Atomic, Molecular and Optical Physics] Lecointre, Julien [UCL] Urbain, Xavier [UCL] Vaeck, Nathalie [Université Libre de Bruxelles]

We investigate the dynamics of the photodissociation of the helium hydride ion HeH+ 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+. We find good agreement with the experiment for the cross section into the He + H+ 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 Σ and Π states to the cross section for the He+ + H channel, but only a qualitative one for the He + H+ channel. We discuss the factors that could explain the remaining discrepancies between theory and experiment.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2011
Language Anglais
Journal information "Physical review. A, Atomic, molecular, and optical physics" - Vol. 84, no. 5, p. 053412 (2011)
Peer reviewed yes
issn 1050-2947
e-issn 1094-1622
Publication status Publié
Affiliations Institute for Theoretical Atomic, Molecular and Optical Physics - Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA
UCL - SST/IMCN/NAPS - Nanoscopic Physics
Université Libre de Bruxelles - Laboratoire de Chimie Quantique et Photophysique
UCL - SST/IMCN/NAPS - Nanoscopic Physics
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Bibliographic reference Loreau, J. ; Lecointre, Julien ; Urbain, Xavier ; Vaeck, Nathalie. Rovibrational analysis of the XUV photodissociation of HeH+ ions. In: Physical review. A, Atomic, molecular, and optical physics, Vol. 84, no. 5, p. 053412 (2011)
Permanent URL http://hdl.handle.net/2078.1/93032