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.

DOI: https://doi.org/10.1088/0953-4075/35/3/309

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.

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About

• Item ORO ID
• 6340
• Item Type
• Journal Item
• ISSN
• 1361-6455
• Keywords
• elastic cross-sections; rotational-excitation; excited-states; basis sets; h2o; scattering; energy; photodissociation; molecule; attachment
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Research Group
• Physics
• Depositing User
• Astrid Peterkin