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Electron impact dissociative excitation of water within the adiabatic nuclei approximation

Gorfinkiel, J.D.; Morgan, L.A. and Tennyson, Jonathan (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.

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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.

Item Type: Journal Article
ISSN: 1361-6455
Keywords: elastic cross-sections; rotational-excitation; excited-states; basis sets; h2o; scattering; energy; photodissociation; molecule; attachment
Academic Unit/Department: Science > Physical Sciences
Interdisciplinary Research Centre: Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
Item ID: 6340
Depositing User: Astrid Peterkin
Date Deposited: 19 Jan 2007
Last Modified: 02 Dec 2010 19:56
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