Work

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

Year: 2025

Type: preprint

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.

Source: arXiv (Cornell University)

DOI: 10.1021/acs.jctc.5c01483

Authors: Vasquez, Luis, Pios, Sebastian, Chen, Lipeng, Lan, Zhenggang, Domcke, Wolfgang, Gelin, Maxim

Institutions: Zhejiang Lab, South China Normal University, Technical University of Munich, Hangzhou Dianzi University

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funder: National Natural Science Foundation of China

Awards: G2619856273, G3005305374, G3979897737, G5093896997, G8676379618

OpenAlex ID: W7080691393

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