Multiscale non-adiabatic dynamics with radiative decay, case study on the post-ionization fragmentation of rare-gas tetramers

TL;DR

This paper presents a multiscale non-adiabatic dynamics model incorporating radiative decay, applied to study post-ionization fragmentation in rare-gas tetramers, combining theoretical approaches and detailed methodological descriptions.

Contribution

It introduces a comprehensive multiscale model that integrates radiative processes into non-adiabatic dynamics simulations for rare-gas clusters.

Findings

Detailed interaction and dynamical models provided

Methodology for radiative decay incorporated

Application to rare-gas tetramers demonstrated

Abstract

In this supplementary material, we recollect, for reader's convenience, the general scheme of suggested multiscale model (Sec. 1), and basic informations about approaches used for pilot study: a detailed description of the interaction model (Sec. 2) and dynamical methods used for the dark dynamics step (Sec. 3) reported previously in two preceding studies [1, 2]. In addition, a detailed description of the treatment of radiative processes is also given (Sec. 4).