PULSE INDUCED DARK STATE OF ACETYLENE

Aerts, Antoine

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https://hdl.handle.net/2142/116652 Copy

Description

Title

PULSE INDUCED DARK STATE OF ACETYLENE

Author(s)

Aerts, Antoine

Contributor(s)

Vaeck, Nathalie ; Vander Auwera, Jean ; Gorza, Simon Pierre ; Kockaert, Pascal

Issue Date

2022-06-20

Keyword(s)

Mini-symposium: Spectroscopy meets Chemical Dynamics

Abstract

We simulate laser-induced dynamics in acetylene (\chem{C_2H_2}) using fully-experimental structural parameters. The rotation-vibration energy structure, including anharmonicities, is defined by the global spectroscopic Hamiltonian for the ground electronic state of \chem{C_2H_2} built from the extensive high resolution spectroscopy studies on the molecule, transition dipole moments from intensities, and effects of the (inelastic) collisions are parametrized from line broadenings using the relaxation matrix [J. Chem. Phys. \textbf{154}, 144308 (2021)]. The approach, based on an effective Hamiltonian outperforms today's \textit{ab initio} computations both in terms of accuracy and computational cost, however, is limited to a few small molecules. With such accuracy, the Hamiltonian permits to study the inside machinery of theoretical pulse shaping [J. Chem. Phys. \textbf{156}, 084302 (2022)] for laser quantum control. With an adequate pulse shaping technique (in mid-IR) based on ``super-Gaussian" pulses, we show a realistic and performant path to the population of a ``dark" ro-vibrational state in \chem{C_2H_2}.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116652

Copyright and License Information

Copyright 2022 held by the authors

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