231 citations · 478 across the 9 of their papers we have counts for
7 papers · 1 filter
Determination of approximate quantum labels based on projections of the total angular momentum on the molecule-fixed axis
Eamon K. Conway, Iouli E. Gordon, Oleg L. Polyansky +1
Molecular line lists, particularly those computed for high temperature applications, often have very few states assigned local quantum numbers. These are often important components…
Use of the complete basis set limit for computing highly accurate ab initio dipole moments
Eamon K. Conway, Iouli E. Gordon, Oleg L. Polyansky +1
Calculating dipole moments with high-order basis sets is generally only possible for the light molecules, such as water. A simple, yet highly effective strategy of obtaining high-o…
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…
An experimental water line list at 1950 K in the 6250 -- 6670 \cm\ region
Lucile Rutkowski, Aleksandra Foltynowicz, Florian M. Schmidt +7
An absorption spectrum of HO at 1950 K is recorded in a premixed methane/air flat flame using a cavity-enhanced optical frequency comb-based Fourier transform spectromet…