95 citations · 891 across the 34 of their papers we have counts for
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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…
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…
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$^{…
Accurate \textit{ab initio} vibrational energies of methyl chloride
Alec Owens, Sergei N. Yurchenko, Andrey Yachmenev +2
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level \textit{ab initio} theory for the two main isotopologues of methyl chloride, CH$_{3}{…
The rotation-vibration spectrum of methyl fluoride from first principles
Alec Owens, Andrey Yachmenev, Jochen Küpper +2
Accurate \textit{ab initio} calculations on the rotation-vibration spectrum of methyl fluoride (\ce{CH3F}) are reported. A new nine-dimensional potential energy surface (PES) and d…
Analyzing laser-induced alignment of weakly-bound molecular aggregates
Linda V. Thesing, Andrey Yachmenev, Rosario González-Férez +1
The rotational and torsional dynamics of the prototypical floppy molecular cluster was theoretically and computationally analyzed. The time-depe…