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Electron impact dissociative excitation of water within the adiabatic nuclei approximation

Gorfinkiel, J.D.; Morgan, L.A.; Tennyson, J.; (2002) Electron impact dissociative excitation of water within the adiabatic nuclei approximation. Journal of Physics B: Atomic, Molecular and Optical Physics , 35 (3) pp. 543-555. 10.1088/0953-4075/35/3/309. Green open access

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Abstract

The R-matrix method is used to calculate dissociative excitation cross sections for the four lowest-lying electronically excited states of H2O in the energy range 5-15 eV. For the first time calculations are performed taking into account the nuclear motion by means of an adaptation of the adiabatic nuclei approximation. Cross sections are compared with previous and new fixed-nuclei results and also experiments. Resonance positions and widths are calculated for different geometries of the water molecule.

Type: Article
Title: Electron impact dissociative excitation of water within the adiabatic nuclei approximation
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0953-4075/35/3/309
Publisher version: http://stacks.iop.org/0953-4075/35/543
Language: English
UCL classification: UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/1161
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