95 citations · 891 across the 34 of their papers we have counts for
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Calculation of Electric Quadrupole Linestrengths for Diatomic Molecules: Application to the H2, CO, HF and O2 Molecules
Wilfrid Somogyi, Sergey N. Yurchenko, Andrey Yachmenev
We present a unified variational treatment of the electric quadrupole (E2) matrix elements, Einstein coefficients, and line strengths for general open-shell diatomic molecules in t…
Electric quadrupole transitions in carbon dioxide
Andrey Yachmenev, Alain Campargue, Sergei N. Yurchenko +2
Recent advances in the high sensitivity spectroscopy have made it possible, in combination with accurate theoretical predictions, to observe for the first time very weak electric q…
Active learning of potential-energy surfaces of weakly-bound complexes with regression-tree ensembles
Yahya Saleh, Vishnu Sanjay, Armin Iske +2
Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical a…