50 citations · 318 across the 26 of their papers we have counts for
4 papers · 1 filter
Automated AFGL quantum number assignment for CO isotopologues using a graph neural network
Marco G. Barnfield, Sergei N. Yurchenko, Jonathan Tennyson
Accurate quantum number assignment for calculated molecular energy levels is a critical bottleneck in generating line broadening parameters for comprehensive line lists for radiati…
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…
Dissociation of hydrofluorocarbon molecules after electron impact in plasma
Dmitry V. Makhov, Gregory Armstrong, Hsiao-Han Chuang +6
The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). T…
Hybrid variation-perturbation method for calculating rovibrational energy levels of polyatomic molecules
A. I. Pavlyuchko, S. N. Yurchenko, Jonathan Tennyson
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The…