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Issue 2, 2014
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Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering

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Abstract

The Coulomb explosion of the octamer water cluster has been studied employing time-dependent density functional theory explicitly accounting for the laser field and thus not imposing any constraint on the interaction between the laser pulse and the cluster. We focus on the effects of electron density changes in the system under high-intensity (1016 and 1015 W cm−2) soft X-ray laser pulses and their fingerprint in the reciprocal space, namely the ultrafast changes in X-ray diffuse scattering signals in k-space (in the investigated k-space range from 10−3 up to 10 Å−1). The present simulations indicate that diffusional components in X-ray intensity changes propagate from low reciprocal resolution (resembling the small-angle X-ray scattering regime) to very high resolution (the wide-angle X-ray scattering regime) during the Coulomb explosion process.

Graphical abstract: Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering

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Publication details

The article was received on 22 Sep 2013, accepted on 29 Oct 2013 and first published on 25 Nov 2013


Article type: Paper
DOI: 10.1039/C3CP54011A
Phys. Chem. Chem. Phys., 2014,16, 792-798

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    Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering

    A. Debnarova, S. Techert and S. Schmatz, Phys. Chem. Chem. Phys., 2014, 16, 792
    DOI: 10.1039/C3CP54011A

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