UCL Discovery Stage
UCL home » Library Services » Electronic resources » UCL Discovery Stage

Simulating electric field interactions with polar molecules using spectroscopic databases

Owens, A; Zak, EJ; Chubb, KL; Yurchenko, SN; Tennyson, J; Yachmenev, A; (2017) Simulating electric field interactions with polar molecules using spectroscopic databases. Scientific Reports , 7 , Article 45068. 10.1038/srep45068. Green open access

[thumbnail of Tennyson_simulating electric field_.pdf] Text
Tennyson_simulating electric field_.pdf - Published Version

Download (2MB)

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 and NH3, and spontaneous emission data for optoelectrical Sisyphus cooling of H2CO and CH3Cl are discussed.

Type: Article
Title: Simulating electric field interactions with polar molecules using spectroscopic databases
Open access status: An open access version is available from UCL Discovery
DOI: 10.1038/srep45068
Publisher version: http://doi.org/10.1038/srep45068
Language: English
Additional information: 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/
Keywords: Science & Technology, Multidisciplinary Sciences, Science & Technology - Other Topics, Dependent Hartree Method, Computed Line List, Propagating Wavepackets, Polyatomic-molecules, Phosphine, Software, Dynamics, Ammonia, Pulses
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery-pp.ucl.ac.uk/id/eprint/1549564
Downloads since deposit
1,037Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item