645 citations · 1.5k across the 19 of their papers we have counts for
19 papers
The 2024 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
Jonathan Tennyson, Sergei N. Yurchenko, Jingxin Zhang +27
The ExoMol database (www.exomol.com) provides molecular data for spectroscopic studies of hot atmospheres. These data are widely used to model atmospheres of exoplanets, cool stars…
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…
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…
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…
Potential energy surface, dipole moment surface and the intensity calculations for the 10 micron, 5 micron, and 3 micron bands of ozone
Oleg L. Polyansky, Nikolai F. Zobov, Irina I. Mizus +3
Monitoring ozone concentrations in the Earth's atmosphere using spectroscopic methods is a major activity which undertaken both from the ground and from space. However there are lo…
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…
ExoMol molecular line lists XX: a comprehensive line list for H
Irina I. Mizus, Alexander Alijah, Nikolai F. Zobov +5
H is a ubiquitous and important astronomical species whose spectrum has been observed in the interstellar medium, planets and tentatively in the remnants of supernova SN1897a…
ExoMol molecular line lists XIX: high accuracy computed hot line lists for HO and HO
Oleg L. Polyansky, Aleksandra A. Kyuberis, Lorenzo Lodi +4
Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a…
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…
High accuracy CO line intensities determined from theory and experiment
Oleg L. Polyansky, Katarzyna Bielska, Mélanie Ghysels +4
Atmospheric CO concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5\%\ or better. Most ava…
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…
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
Jonathan Tennyson, Peter F. Bernath, Alain Campargue +19
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-02…
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…