645 citations · 2.9k across the 31 of their papers we have counts for
3 papers · 2 filters
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…
High accuracy water potential energy surface for the calculation of infrared spectra
Irina I. Mizus, Aleksandra A. Kyuberis, Nikolai F. Zobov +3
Transition intensities for small molecules such as water and CO can now be computed with such high accuracy that they are being used to systematically replace measurements in s…