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 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 PH3and NH3, and spontaneous emission data for optoelectrical Sisyphus cooling of H2CO and CH3Cl are discussed.
Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
Alec
A
Owens
Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
Emil J
EJ
Zak
Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
Katy L
KL
Chubb
Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
Sergei N
SN
Yurchenko
Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
Jonathan
J
Tennyson
Center for Free-Electron Laser Science (CFEL), DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Andrey
A
Yachmenev