231 citations · 454 across the 15 of their papers we have counts for
13 papers · 1 filter
Hyperfine-resolved rotation-vibration line list of ammonia (NH)
Phillip A. Coles, Alec Owens, Jochen Küpper +1
A comprehensive, hyperfine-resolved rotation-vibration line list for the ammonia molecule (NH) is presented. The line list, which considers hyperfine nuclear quadrupole…
Structure-based Sampling and Self-correcting Machine Learning for Accurate Calculations of Potential Energy Surfaces and Vibrational Levels
Pavlo O. Dral, Alec Owens, Sergei N. Yurchenko +1
We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learni…
A global \textit{ab initio} dipole moment surface for methyl chloride
Alec Owens, Sergei N. Yurchenko, Andrey Yachmenev +2
A new dipole moment surface (DMS) for methyl chloride has been generated at the CCSD(T)/aug-cc-pVQZ(+d for Cl) level of theory. To represent the DMS, a symmetry-adapted analytic re…
Anomalous phosphine sensitivity coefficients as probes for a possible variation of the proton-to-electron mass ratio
Alec Owens, Sergei N. Yurchenko, Vladimir Špirko
A robust variational approach is used to investigate the sensitivity of the rotation-vibration spectrum of phosphine (PH) to a possible cosmological variation of the proton-to-…
Enhanced sensitivity to a possible variation of the proton-to-electron mass ratio in ammonia
Alec Owens, Sergei N. Yurchenko, Walter Thiel +1
Numerous accidental near-degeneracies exist between the and rotation-vibration energy levels of ammonia. Transitions between these two states possess significantly enh…
A global potential energy surface and dipole moment surface for silane
Alec Owens, Sergei N. Yurchenko, Andrey Yachmenev +1
A new nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) for silane have been generated using high-level \textit{ab initio} theory. The PES, CBS-F12$^{…