Related papers: ExoMol molecular line lists XIX: high accuracy com…
The discovery of extrasolar planets is one of the major scientific advances of the last two decades. Hundreds of planets have now been detected and astronomers are beginning to characterise their composition and physical characteristics. To…
We report the detection of more than 48 velocity-resolved ground rotational state transitions of H2(16)O, H2(18)O, and H2(17)O - most for the first time - in both emission and absorption toward Orion KL using Herschel/HIFI. We show that a…
An accurate line list for calcium oxide is presented covering transitions between all bound ro-vibronic levels from the five lowest electronic states \X, \Ap, \A, \astate, and \bstate. The ro-vibronic energies and corresponding…
New molecular line lists for calcium monohydride ($^{40}$Ca$^{1}$H) and magnesium monohydride ($^{24}$Mg$^{1}$H) and its minor isotopologues ($^{25}$Mg$^{1}$H and $^{26}$Mg$^{1}$H) are presented. The rotation-vibration-electronic…
Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000K). A combination of…
New ExoMol line lists AloHa for AlH and AlD are presented improving the previous line lists WYLLoT (Yurchenko et al., MNRAS 479, 1401 (2018)). The revision is motivated by the recent experimental measurements and astrophysical findings…
The use of variational nuclear motion programs to compute line lists of transition frequencies and intensities is now a standard procedure. The ExoMol project has used this technique to generate line lists for studies of hot bodies such as…
Since the emission of water molecules cannot be observed from Earth, less abundant isotopologues, such as H$_2^{18}$O and HDO, are used to trace water in star-forming regions. The main aim of this study is to determine HDO abundance in the…
H$_3^+$ 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. Its role as a cooler is important for gas giant planets…
The GYT line list covering rotational, rovibrational and rovibronic transitions of the mercapto radical SH is presented. This work extends and replaces the SNaSH line list [Yurchenko et al., 2018, MNRAS, 478, 270] which covers the ground…
We present first results of the H_2O Southern Galactic Plane Survey (HOPS), using the Mopra radiotelescope with a broad band backend and a beam size of about 2'. We have observed 100 square degrees of the southern Galactic plane at 12mm…
Improved opacities are needed for modelling the atmospheres and evolution of cool carbon-rich stars and extra-solar planets; in particular, contributions made by the astrophysically important propadienediylidene (C$_3$) molecule need, at a…
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 long-running issues of consistency between measurements made…
Sulphur dioxide is well-known in the atmospheres of planets and satellites, where its presence is often associated with volcanism, and in circumstellar envelopes of young and evolved stars as well as the interstellar medium. This work…
The majority of stars are now thought to support exoplanets. Many of those exoplanets discovered thus far are categorized as rocky objects with an atmosphere. Most of these objects are however hot due to their short orbital period. Models…
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level \textit{ab initio} theory for the two main isotopologues of methyl chloride, CH$_{3}{}^{35}$Cl and CH$_{3}{}^{37}$Cl. The respective PESs,…
An absorption spectrum of H$_2$$^{16}$O at 1950 K is recorded in a premixed methane/air flat flame using a cavity-enhanced optical frequency comb-based Fourier transform spectrometer. 2417 absorption lines are identified in the 6250 -- 6670…
The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of…
Within low-mass star formation, water vapor plays a key role in the chemistry and energy balance of the circumstellar material. The Herschel Space Observatory will open up the possibility to observe water lines originating from a wide range…
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…