PySHS: Python Open Source Software for Second Harmonic Scattering

Area of Science:

• Nonlinear Optics
• Nanophotonics
• Computational Physics

Background:

• Second Harmonic Scattering (SHS) is a powerful nonlinear optical technique for characterizing nano-objects.
• Accurate theoretical modeling is crucial for interpreting SHS experiments.
• Existing simulation tools may lack flexibility for diverse nano-object geometries and experimental setups.

Purpose of the Study:

• Introduce the PySHS package, a novel open-source Python tool for simulating SHS.
• Provide a computational framework for analyzing SHS from various colloidal nano-objects.
• Validate the PySHS model against experimental data.

Main Methods:

• Implementation of a theoretical model for SHS in the PySHS package.
• Computation of polarization-resolved scattering intensities.
• Calculation of angular distributions for different polarization configurations.
• Simulation of SHS from molecular dye-intercalated liposomes.

Main Results:

• The PySHS package successfully simulates SHS, including polarization-resolved and angular distribution data.
• Computational results demonstrate the package's ability to handle diverse experimental configurations.
• The model accurately reproduces experimental SHS data for dye-loaded liposomes.

Conclusions:

• PySHS offers a versatile and accurate tool for theoretical investigations of SHS.
• The software facilitates the interpretation of experimental SHS data for nano-object characterization.
• PySHS enables researchers to explore complex SHS phenomena in various systems.