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Data · dataset · 2024

SLIMP 2.0: A new version of strong laser interaction model package for atoms and molecules, now with molecular orbital tomography based on high-order harmonic spectra

Listed in Teesside University Research Data Repository

A new version of strong laser interaction model package for atoms and molecules is presented.

Description

Its capacities are enhanced by incorporating modules related to molecular orbital tomography (MOT) in length and velocity forms based on high-order harmonic spectra (HHS). This advanced package enables two-dimensional and three-dimensional MOT of both symmetric and asymmetric molecules using HHS, providing an efficient means for both experimental and theoretical investigations of molecular orbital structures.

In addition, it can calculate the precise theoretical orbitals corresponding to those reconstructed by MOT. Furthermore, the package can calculate the transition dipole moment (TDM) in the plane wave approximation and allow for reference MOT based on TDM. It can evaluate the quality of reconstructed orbitals based on HHS and reveal the physical and numerical effects on MOT.

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This package is suitable for MOT under conditions of driving laser at different intensities and wavelengths, and can be applied to different molecules with various structures. It is designed to facilitate easy expansion for additional capabilities. The previous version of this program (AEWE_v1_0) may be found at doi.org/10.1016/j.cpc.2015.02.031.

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