Simulating electric field interactions with polar molecules using spectroscopic databases

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...

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Bibliographic Details
Published inarXiv.org
Main Authors Owens, Alec, Zak, Emil J, Chubb, Katy L, Yurchenko, Sergei N, Tennyson, Jonathan, Yachmenev, Andrey
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 15.04.2017
Subjects
Computer simulation
Electric fields
Physics - Chemical Physics
Polyatomic molecules
Spectroscopy
Spontaneous emission
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Summary: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.
ISSN:2331-8422
DOI:10.48550/arxiv.1705.08535