activity
20182023
most citedHigh accuracy water potential energy surface for the calculation of infrared spectra

34 citations · 59 across the 5 of their papers we have counts for

collaborators

5 papers

astro-ph.EP2023★ 3 cited

Simulation-based Inference for Exoplanet Atmospheric Retrieval: Insights from winning the Ariel Data Challenge 2023 using Normalizing Flows

Mayeul Aubin, Carolina Cuesta-Lazaro, Ethan Tregidga +9

Advancements in space telescopes have opened new avenues for gathering vast amounts of data on exoplanet atmosphere spectra. However, accurately extracting chemical and physical pr…

physics.atm-clus2021★ 4 cited

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-…

physics.chem-ph2021★ 4 cited

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…

physics.chem-ph2018★ 14 cited

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…

physics.chem-ph2018★ 34 cited

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…