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Spin-Orbit Induced Non-Adiabatic Dynamics: An Exact -Representation
Ryan P. Brady, Sergei N. Yurchenko
Transforming rovibronic Hamiltonians of molecular systems from the (Hund's case a) basis to the adiabatic representation is widely used to "remove" spin-orbit coupling (SO…
Predissociation dynamics of the hydroxyl radical (OH) based on a five-state spectroscopic model
Georgi B. Mitev, Jonathan Tennyson, Sergey N. Yurchenko
Multi-reference configuration interaction (MRCI) potential energy curves (PECs) and spin-orbit couplings for the X , A , 1 , 1 , and 1 states of…
Optical frequency comb Fourier transform spectroscopy of formaldehyde in the 1250 to 1390 cm range: experimental line list and improved MARVEL analysis
Matthias Germann, Adrian Hjältén, Jonathan Tennyson +9
We use optical frequency comb Fourier transform spectroscopy to record high-resolution, low-pressure, room-temperature spectra of formaldehyde (HCO) in the range…
An empirical spectroscopic model for eleven electronic states of VO
Qianwei Qu, Sergei N. Yurchenko, Jonathan Tennyson
Previously-determined empirical energy levels are used to construct a rovibronic model for the , , , , $\math…
A variational model for the hyperfine resolved spectrum of VO in its ground electronic state
Qianwei Qu, Sergei N. Yurchenko, Jonathan Tennyson
A variational model for the infra-red spectrum of VO is presented which aims to accurately predict the hyperfine structure within the VO electronic ground state…
ExoMol photodissociation cross sections I: HCl and HF
Marco Pezzella, Jonathan Tennyson, Sergei N. Yurchenko
Photon initiated chemistry, \textit{i.e.} the interaction of light with chemical species, is a key factor in the evolution of the atmosphere of exoplanets. For planets orbiting sta…