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WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories

Published 4 Sep 2025 in physics.chem-ph and physics.optics | (2509.03917v1)

Abstract: We present an efficient numerical implementation of the quasi-classical doorway-window approximation, specifically designed for on-the-fly simulations of time-resolved nonlinear spectroscopic signals in the Julia package WaveMixings.jl. The package contains modules that facilitate standard tasks such as input/output data handling, data filtering, and post-processing, among others. WaveMixings.jl includes implementations of various methods developed by the authors, including integral and dispersed transient absorption pump-probe signals and two-dimensional spectra. By developing WaveMixings.jl we aim to create a versatile platform to perform simulations and develop methodologies within the quasi-classical doorway-window approximation framework.

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