PySHS: Python Open Source Software for Second Harmonic Scattering

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Abstract

The PySHS package is a new python open source software tool which simulates the second harmonic scattering (SHS) of different kinds of colloidal nano-objects in various experimental configurations. This package is able to compute polarizations resolved at a fixed scattered angle or angular distribution for different polarization configurations. This article presents the model implemented in the PySHS software and gives some computational examples. A comparison between computational results and experimental data concerning molecular dye intercalated inside liposomes membrane is presented to illustrate the possibilities with PySHS.

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Boudjema, L., Aarrass, H., Assaf, M., Morille, M., Martin-Gassin, G., & Gassin, P. M. (2020). PySHS: Python Open Source Software for Second Harmonic Scattering. Journal of Chemical Information and Modeling, 60(12), 5912–5917. https://doi.org/10.1021/acs.jcim.0c00789

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