HITEMP, the high-temperature molecular spectroscopic database

LS Rothman, IE Gordon, RJ Barber, H Dothe… - Journal of Quantitative …, 2010 - Elsevier
A new molecular spectroscopic database for high-temperature modeling of the spectra of
molecules in the gas phase is described. This database, called HITEMP, is analogous to the …

A high-accuracy computed water line list

RJ Barber, J Tennyson, GJ Harris… - Monthly Notices of the …, 2006 - academic.oup.com
A computed list of H216O infrared transition frequencies and intensities is presented. The
list, BT2, was produced using a discrete variable representation two-step approach for …

[HTML][HTML] IUPAC critical evaluation of the rotational–vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O

J Tennyson, PF Bernath, LR Brown… - Journal of quantitative …, 2013 - Elsevier
This is the third of a series of articles reporting critically evaluated rotational–vibrational line
positions, transition intensities, and energy levels, with associated critically reviewed labels …

Molecular astronomy of cool stars and sub-stellar objects

PF Bernath - International Reviews in Physical Chemistry, 2009 - Taylor & Francis
The optical and infrared spectra of a wide variety of 'cool'astronomical objects including the
Sun, sunspots, K-, M-and S-type stars, carbon stars, brown dwarfs and extrasolar planets are …

[HTML][HTML] W2020: A database of validated rovibrational experimental transitions and empirical energy levels of H216O

T Furtenbacher, R Tóbiás, J Tennyson… - Journal of Physical …, 2020 - pubs.aip.org
A detailed understanding of the complex rotation–vibration spectrum of the water molecule
is vital for many areas of scientific and human activity, and thus, it is well studied in a number …

CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule

P Barletta, SV Shirin, NF Zobov… - The Journal of …, 2006 - pubs.aip.org
The high accuracy ab initio adiabatic potential energy surfaces (PESs) of the ground
electronic state of the water molecule, determined originally by Polyansky et al [Science 299 …

Calculation of rotation–vibration energy levels of the water molecule with near-experimental accuracy based on an ab initio potential energy surface

OL Polyansky, RI Ovsyannikov… - The Journal of …, 2013 - ACS Publications
A recently computed, high-accuracy ab initio Born–Oppenheimer (BO) potential energy
surface (PES) for the water molecule is combined with relativistic, adiabatic, quantum …

The W2024 database of the water isotopologue

T Furtenbacher, R Tóbiás, J Tennyson, RR Gamache… - Scientific Data, 2024 - nature.com
The rovibrational spectrum of the water molecule is the crown jewel of high-resolution
molecular spectroscopy. While its significance in numerous scientific and engineering …

Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications

KL Chubb, S Robert, C Sousa-Silva… - RAS Techniques …, 2024 - academic.oup.com
The goal of this white paper is to provide a snapshot of the data availability and data needs
primarily for the Ariel space mission, but also for related atmospheric studies of exoplanets …

Water vapor absorption spectroscopy and validation tests of databases in the far-infrared (50–720 cm− 1). Part 2: H217O and HD17O

EV Karlovets, SN Mikhailenko, AO Koroleva… - Journal of Quantitative …, 2024 - Elsevier
The present work is the second part of our systematic study of the absorption spectrum of the
water vapor isotopologues by high resolution (≈ 0.001 cm− 1) Fourier transform …