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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364483/ https://www.ncbi.nlm.nih.gov/pubmed/28338042 http://dx.doi.org/10.1038/srep45068 |
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author | Owens, Alec Zak, Emil J. Chubb, Katy L. Yurchenko, Sergei N. Tennyson, Jonathan Yachmenev, Andrey |
author_facet | Owens, Alec Zak, Emil J. Chubb, Katy L. Yurchenko, Sergei N. Tennyson, Jonathan Yachmenev, Andrey |
author_sort | Owens, Alec |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-5364483 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-53644832017-03-28 Simulating electric field interactions with polar molecules using spectroscopic databases Owens, Alec Zak, Emil J. Chubb, Katy L. Yurchenko, Sergei N. Tennyson, Jonathan Yachmenev, Andrey Sci Rep Article 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. Nature Publishing Group 2017-03-24 /pmc/articles/PMC5364483/ /pubmed/28338042 http://dx.doi.org/10.1038/srep45068 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Article Owens, Alec Zak, Emil J. Chubb, Katy L. Yurchenko, Sergei N. Tennyson, Jonathan Yachmenev, Andrey Simulating electric field interactions with polar molecules using spectroscopic databases |
title | Simulating electric field interactions with polar molecules using spectroscopic databases |
title_full | Simulating electric field interactions with polar molecules using spectroscopic databases |
title_fullStr | Simulating electric field interactions with polar molecules using spectroscopic databases |
title_full_unstemmed | Simulating electric field interactions with polar molecules using spectroscopic databases |
title_short | Simulating electric field interactions with polar molecules using spectroscopic databases |
title_sort | simulating electric field interactions with polar molecules using spectroscopic databases |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364483/ https://www.ncbi.nlm.nih.gov/pubmed/28338042 http://dx.doi.org/10.1038/srep45068 |
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