Related papers: ExoMol molecular line lists XIX: high accuracy com…
Laser measurements of the intensity of (201) 3$_{22}$ -- (000) 2$_{21}$ near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These measurements determine the line intensity with an standard…
Recent advances in the use of High-Resolution Cross-Correlation Spectroscopy (HRCCS) to detect molecular species in exoplanet atmospheres, presents a new challenge for the accuracy of reference spectroscopic line lists. While parent…
A variationally computed $^{28}$SiH$_4$ rotation-vibration line list applicable for temperatures up to $T=1200\,$K is presented. The line list, called OY2T, considers transitions with rotational excitation up to $J=42$ in the wavenumber…
An accurate line list, called XABC, is computed for nitric oxide which covers its pure rotational, vibrational and rovibronic spectra. A mixture of empirical and theoretical electronic transition dipole moments are used for the final…
A new nine-dimensional potential energy surface (PES) for methane has been generated using state-of-the-art \textit{ab initio} theory. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete…
We present a unified variational treatment of the electric quadrupole (E2) matrix elements, Einstein coefficients, and line strengths for general open-shell diatomic molecules in the general purpose diatomic code \Duo. Transformation…
Quantum-mechanical close-coupling calculations for state-to-state cross sections and thermal rates are reported for H2+H2 collisions. Two recently developed potential energy surfaces (PES) for the H2-H2 system are applied, namely, the…
Accurate line lists are important for the description of the spectroscopic nature of small molecules. While a line list for CN (an important molecule for chemistry and astrophysics) exists, no underlying energy spectroscopic model has been…
Cross-correlation is a well-tested method for exoplanet characterization. A new, potentially powerful application is the measurement of atmospheric isotope ratios. In particular D/H can give unique insights into a planet's formation and…
The sodium monoxide radical (NaO) is observed in night glow in the Earth's mesosphere and likely has astronomical importance. This study concerns the optical transitions within the ground X $^2\Pi$ state and to the very low-lying…
Electrostatic velocity filtering and guiding is an established technique to produce high fluxes of cold polar molecules. In this paper we clarify different aspects of this technique by comparing experiments to detailed calculations. In the…
Water is an important molecule in the chemical and thermal balance of dense molecular gas, but knowing its history through-out the various stages of the star formation is a fundamental problem. Its molecular deuteration provides us with a…
Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common…
Hydrophobic eutectic solvents (HES) are emerging as sustainable alternatives to conventional organic solvents for the extraction of molecular pollutants from water. Yet, their selectivity remains poorly understood, hindering the predictive…
A methane line list for the HITEMP spectroscopic database, covering 0-13,400 cm$^{-1}$ ($>$746 nm), is presented. To create this compilation, ab initio line lists of $^{12}$CH$_{4}$ from Rey et al. (2017) ApJ, 847, 105 (provided at separate…
This work introduces new low-temperature gas opacities, in the range 3.2 <= log(T/K) <= 4.5, computed with the AESOPUS code under the assumption of thermodynamic equilibrium (Marigo &_Aringer_2009). In comparison to the previous version…
We present 'BYTe', a comprehensive 'hot' line list for the ro-vibrational transitions of ammonia, 14NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new…
High-Resolution Spectroscopy (HRS) has been used to study the composition and dynamics of exoplanetary atmospheres. In particular, the spectrometer CRIRES installed on the ESO-VLT has been used to record high-resolution spectra in the…
High precision estimation of the equation of state of dark energy depends on constraints external to analyses of Cosmic Microwave Background fluctuations. A geometric estimation of the local expansion rate, H_o, would provide the most…
Apart from being an important coolant, H2O is known to be a tracer of high-velocity molecular gas. Recent models predict relatively high abundances behind interstellar shockwaves. The dynamical and physical conditions of the H2O emitting…