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Interaction of molecular nitrogen with free-electron-laser radiation

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Abstract

We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser (FEL) pulses. The nuclei are kept fixed. We formulate rate equations for the energetically allowed molecular and atomic transitions and we account for dissociation through additional terms in the rate equations. Solving these equations for different parameters of the FEL pulse, allows us to identify the most efficient parameters of the FEL pulse for obtaining the highest contribution of double core hole states (DCH) in the final atomic ion fragments. Finally we identify the contribution of DCH states in the electron spectra and show that the DCH state contribution is more easily identified in the photo-ionization rather than the Auger transitions.

Graphical abstract: Interaction of molecular nitrogen with free-electron-laser radiation

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Publication details

The article was received on 11 Apr 2017, accepted on 19 Jun 2017 and first published on 19 Jun 2017


Article type: Paper
DOI: 10.1039/C7CP02345F
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Interaction of molecular nitrogen with free-electron-laser radiation

    H. I. B. Banks, D. A. Little, J. Tennyson and A. Emmanouilidou, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP02345F

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