English

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

Chemical Physics 2025-09-05 v1 Optics

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.

Keywords

Cite

@article{arxiv.2509.03917,
  title  = {WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories},
  author = {Luis Vasquez and Sebastian Pios and Lipeng Chen and Zhenggang Lan and Wolfgang Domcke and Maxim Gelin},
  journal= {arXiv preprint arXiv:2509.03917},
  year   = {2025}
}

Comments

32 pages, 6 figures, 2 listing