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

Fuente: arXiv
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Autores principales: Vasquez, Luis, Pios, Sebastian, Chen, Lipeng, Lan, Zhenggang, Domcke, Wolfgang, Gelin, Maxim
Formato: Preprint
Publicado: 2025
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author Vasquez, Luis
Pios, Sebastian
Chen, Lipeng
Lan, Zhenggang
Domcke, Wolfgang
Gelin, Maxim
author_facet Vasquez, Luis
Pios, Sebastian
Chen, Lipeng
Lan, Zhenggang
Domcke, Wolfgang
Gelin, Maxim
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2509_03917
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories
Vasquez, Luis
Pios, Sebastian
Chen, Lipeng
Lan, Zhenggang
Domcke, Wolfgang
Gelin, Maxim
Chemical Physics
Optics
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.
title WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories
topic Chemical Physics
Optics
url https://arxiv.org/abs/2509.03917