Theory and application of explicitly correlated Gaussians

J Mitroy, S Bubin, W Horiuchi, Y Suzuki… - Reviews of modern …, 2013 - APS
The variational method complemented with the use of explicitly correlated Gaussian basis
functions is one of the most powerful approaches currently used for calculating the …

ExoMol molecular line lists XXX: a complete high-accuracy line list for water

OL Polyansky, AA Kyuberis, NF Zobov… - Monthly Notices of …, 2018 - academic.oup.com
ABSTRACT A new line list for HO is presented. This line list, which is called POKAZATEL,
includes transitions between rotational–vibrational energy levels up to 41 000 cm− 1 and is …

Interstellar H3+

T Oka - Chemical Reviews, 2013 - ACS Publications
The history of H3+ is a succession of inspiring discoveries, grueling hard work, big surprises,
and many puzzles and mistakes with their unexpected resolutions. It is a showcase …

The ExoMol database: molecular line lists for exoplanet and other hot atmospheres

J Tennyson, SN Yurchenko, AF Al-Refaie… - Journal of Molecular …, 2016 - Elsevier
The ExoMol database (www. exomol. com) provides extensive line lists of molecular
transitions which are valid over extended temperature ranges. The status of the current …

The fourth age of quantum chemistry: molecules in motion

AG Csaszar, C Fabri, T Szidarovszky… - Physical Chemistry …, 2012 - pubs.rsc.org
Developments during the last two decades in nuclear motion theory made it possible to
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …

High-Accuracy Line Intensities Determined from Theory and Experiment

OL Polyansky, K Bielska, M Ghysels, L Lodi, NF Zobov… - Physical review …, 2015 - APS
Atmospheric CO 2 concentrations are being closely monitored by remote sensing
experiments which rely on knowing line intensities with an uncertainty of 0.5% or better …

[HTML][HTML] Collisional broadening of molecular rovibronic lines

J Buldyreva, RP Brady, SN Yurchenko… - Journal of Quantitative …, 2024 - Elsevier
To meet burning needs of high-resolution pressure-induced line-shape parameters in the
UV/visible regions for hot-temperature industrial and atmospheric applications as well as …

Thirty years of astronomy

S Miller, J Tennyson, TR Geballe, T Stallard - Reviews of Modern Physics, 2020 - APS
This review covers the work of the three decades since the first spectroscopic identification
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …

The ExoMol atlas of molecular opacities

J Tennyson, SN Yurchenko - Atoms, 2018 - mdpi.com
The ExoMol project is dedicated to providing molecular line lists for exoplanet and other hot
atmospheres. The ExoMol procedure uses a mixture of ab initio calculations and available …

On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation

A Scherrer, F Agostini, D Sebastiani, EKU Gross… - Physical Review X, 2017 - APS
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is
traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we …