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7 March 2014 Modeling of ultrafast THz interactions in molecular crystals
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In this paper we present a numerical study of terahertz pulses interacting with crystals of cesium iodide. We model the molecular dynamics of the cesium iodide crystals with the Density Functional Theory software CASTEP, where ultrafast terahertz pulses are implemented to the CASTEP software to interact with molecular crystals. We investigate the molecular dynamics of cesium iodide crystals when interacting with realistic terahertz pulses of field strengths from 0 to 50 MV/cm. We find nonlinearities in the response of the CsI crystals at field strengths higher than 10 MV/cm.
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Pernille Klarskov, Stewart J. Clark, and Peter Uhd Jepsen "Modeling of ultrafast THz interactions in molecular crystals", Proc. SPIE 8984, Ultrafast Phenomena and Nanophotonics XVIII, 89840D (7 March 2014);


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