TY  - JOUR
AU  - Debnarova, Andrea
AU  - Techert, Simone
AU  - Schmatz, Stefan
TI  - Contribution of Coulomb Explosion to Form Factors and Mosaicity Spread in Single Particle X-Ray Scattering
JO  - Physical chemistry, chemical physics
VL  - 16
SN  - 1463-9084
CY  - Cambridge
PB  - RSC Publ.
M1  - PUBDB-2015-01183
SP  - 792 -798
PY  - 2014
N1  - (c) the Owner Societies. Post referee full text in progress.
AB  - 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 (10<sup>16</sup> and 10<sup>15</sup> W cm<sup>−2</sup>) 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 <i>k</i>-space range from 10<sup>−3</sup> up to 10 Å<sup>−1</sup>). 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000327888100048
C6  - pmid:24276436
DO  - DOI:10.1039/c3cp54011a
UR  - https://bib-pubdb1.desy.de/record/207200
ER  -