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Issue 30, 2017
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Probing the role of excited states in ionization of acetylene

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Abstract

Ionization of acetylene by linearly-polarized, vacuum ultraviolet (VUV) laser pulses is modelled using time-dependent density functional theory. Several laser wavelengths are considered including one that produces direct ionization to the first excited cationic state while another excites the molecules to a Rydberg series incorporating an autoionizing state. We show that for the wavelengths and intensities considered, ionization is greatest whenever the molecule is aligned along the laser polarization direction. By considering high harmonic generation we show that populating excited states can lead to a large enhancement in the harmonic yield. Lastly, angularly-resolved photoelectron spectra are calculated which show how the energy profile of the emitted electrons significantly changes in the presence of these excited states.

Graphical abstract: Probing the role of excited states in ionization of acetylene

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Publication details

The article was received on 15 Mar 2017, accepted on 06 Apr 2017 and first published on 21 Apr 2017


Article type: Paper
DOI: 10.1039/C7CP01661A
Citation: Phys. Chem. Chem. Phys., 2017,19, 19619-19630
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    Probing the role of excited states in ionization of acetylene

    D. Dundas, P. Mulholland, A. Wardlow and A. de la Calle, Phys. Chem. Chem. Phys., 2017, 19, 19619
    DOI: 10.1039/C7CP01661A

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