645 citations · 2.9k across the 31 of their papers we have counts for
13 papers · 1 filter
Sub-promille measurements and calculations of CO (3--0) overtone line intensities
K. Bielska, A. A. Kyuberis, Z. D. Reed +11
Intensities of lines in the near-infrared second overtone band (3--0) of CO are measured and calculated to an unprecedented degree of precision and accuracy. Agreemen…
Sub-percent accuracy for the intensity of a near infrared water line at 10670 cm: experiment and analysis
Tom M. Rubin, Marian Sarrazin, Nikolai F. Zobov +2
Laser measurements of the intensity of (201) 3 -- (000) 2 near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These mea…
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…
High accuracy calculations of the rotation-vibration spectrum of H
Jonathan Tennyson, Oleg L. Polyansky, Nikolai F. Zobov +2
Calculation of the rotation-vibration spectrum of H3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theore…
Definitive ideal-gas thermochemical functions of the HO molecule
Tibor Furtenbacher, Tamás Szidarovszky, Jan Hruby +5
(), of the HO molecule is reported for temperatures between 0 and 6000 K. Determination of () is principally based on the direct summatio…
A room temperature CO line list with ab initio computed intensities
Emil Zak, Jonathan Tennyson, Oleg L. Polyansky +4
Atmospheric carbon dioxide concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5% or better. We…
Visible line intensities of the triatomic hydrogen ion from experiment and theory
Annemieke Petrignani, Max H. Berg, Florian Grussie +7
The visible spectrum of H3+ is studied using high-sensitivity action spectroscopy in a cryogenic radiofrequency multipole trap. Advances are made to measure the weak ro-vibrational…
QED correction for H
Lorenzo Lodi, Oleg L. Polyansky, Jonathan Tennyson +2
A quantum electrodynamics (QED) correction surface for the simplest polyatomic and polyelectronic system H is computed using an approximate procedure. This surface is used to…