# Simulating electric field interactions with polar molecules using   spectroscopic databases

**Authors:** Alec Owens, Emil J. Zak, Katy L. Chubb, Sergei N. Yurchenko, Jonathan, Tennyson, Andrey Yachmenev

arXiv: 1705.08535 · 2017-05-25

## TL;DR

This paper presents a general method for simulating electric field interactions with polar molecules using spectroscopic data, enabling efficient and accurate modeling of molecule-field phenomena relevant to spectroscopy and cooling techniques.

## Contribution

It introduces a Hamiltonian framework that leverages precomputed spectroscopic data for polar molecules, reducing computational costs and broadening applicability.

## Key findings

- Successfully modeled strong terahertz field effects on PH₃ and NH₃
- Analyzed spontaneous emission for optoelectrical Sisyphus cooling of H₂CO and CH₃Cl
- Demonstrated the method's generality for various polar molecules

## Abstract

Ro-vibrational Stark-associated phenomena of small polyatomic molecules are modelled using extensive spectroscopic data generated as part of the ExoMol project. The external field Hamiltonian is built from the computed ro-vibrational line list of the molecule in question. The Hamiltonian we propose is general and suitable for any polar molecule in the presence of an electric field. By exploiting precomputed data, the often prohibitively expensive computations associated with high accuracy simulations of molecule-field interactions are avoided. Applications to strong terahertz field-induced ro-vibrational dynamics of PH$_3$ and NH$_3$, and spontaneous emission data for optoelectrical Sisyphus cooling of H$_2$CO and CH$_3$Cl are discussed.

## Full text

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## Figures

9 figures with captions in the complete paper: https://tomesphere.com/paper/1705.08535/full.md

## References

60 references — full list in the complete paper: https://tomesphere.com/paper/1705.08535/full.md

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Source: https://tomesphere.com/paper/1705.08535