English

Simulating electric field interactions with polar molecules using spectroscopic databases

Chemical Physics 2017-05-25 v1

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 PH3_3 and NH3_3, and spontaneous emission data for optoelectrical Sisyphus cooling of H2_2CO and CH3_3Cl are discussed.

Keywords

Cite

@article{arxiv.1705.08535,
  title  = {Simulating electric field interactions with polar molecules using spectroscopic databases},
  author = {Alec Owens and Emil J. Zak and Katy L. Chubb and Sergei N. Yurchenko and Jonathan Tennyson and Andrey Yachmenev},
  journal= {arXiv preprint arXiv:1705.08535},
  year   = {2017}
}

Comments

19 pages, 9 figures, 2 tables

R2 v1 2026-06-22T19:57:08.884Z