77 citations · 202 across the 7 of their papers we have counts for
11 papers
Highly accurate HF dimer ab initio potential energy surface
Roman I. Ovsyannikov, Vladimir Yu. Makhnev, Nikolai F. Zobov +2
A very accurate, (HF) potential energy surface (PES) is constructed based on \ai\ calculations performed using the MOLPRO package at the CCSD(T) level of theory with an aug-cc-…
Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface
Oleg L. Polyansky, Roman I. Ovsyannikov, Jonathan Tennyson +4
A very accurate, (HF) potential energy surface (PES) due to Huang et al. (J. Chem. Phys., 150, 154302 (2019)) is used to calculate the energy levels of the HF dimer by solving…
Calculated line lists for HO and HO with extensive comparisons to theoretical and experimental sources including the HITRAN2016 database
Eamon K. Conway, Iouli E. Gordon, Aleksandra A. Kyuberis +3
New line lists are presented for the two most abundant water isotopologues; HO and HO. The HO line list extends to 25710 cm with inten…
A global potential energy surface for H
I. I. Mizus, O. L. Polyansky, Laura K. McKemmish +3
A globally correct potential energy surface (PES) for the \hp\ molecular ion is presented. The Born-Oppenheimer (BO) \ai\ grid points of Pavanello et. al. [\textit{J. Chem. Phys.}…
A new spectroscopically-determined potential energy surface and \emph{ab initio} dipole moment surface for high accuracy HCN intensity calculations
Vladimir Yu. Makhnev, Aleksandra A. Kyuberis, Oleg L. Polyansky +3
Calculations of transition intensities for small molecules like HO, CO, CO based on s high-quality potential energy surface (PES) and dipole moment surface (DMS) can nowada…
ExoMol molecular line lists XXX: a complete high-accuracy line list for water
Oleg L. Polyansky, Aleksandra A. Kyuberis, Nikolai F. Zobov +3
A new line list for HO is presented. This line list, which is called POKAZATEL, includes transitions between rotation-vibrational energy levels up to 41000 cm in…