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The Polarization Projected Density Matrix: A Practical Way to Recover Molecular Frame Information from Isotropic Samples

2025/03/02 by Thurston, R. L., Shivaram, N., Weber, Th. +2
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.2503.00978

Abstract

We present a novel approach to model ultrafast time-dependent nonlinear optical polarization sensitive signals emitted from randomly-oriented molecules. By projecting the laboratory-frame analyzer polarization axis into the molecular frame and linking that axis with the density matrix through a tensor product, we demonstrate an approach to find a specific molecular orientation that yields a good approximation to simulated four-wave mixing signals produced by the same model but with averaging over molecular orientation.

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