Related papers: ExoMol molecular line lists XIX: high accuracy com…
A new line list for H$_2$$^{16}$O is presented. This line list, which is called POKAZATEL, includes transitions between rotation-vibrational energy levels up to 41000 cm$^{-1}$ in energy and is the most complete to date. The potential…
New hot line lists for five isotopologues of N$_2$O are presented, for the parent $^{14}$N$_2^{16}$O and 4 singly substituted species $^{14}$N$_2^{17}$O, $^{14}$N$_2^{18}$O, $^{14}$N$^{15}$N$^{16}$O and $^{15}$N$^{14}$N$^{16}$O. The line…
A computed line list for hydrogen peroxide, H$_2{}^{16}$O$_2$, applicable to temperatures up to $T=1250$~K is presented. A semi-empirical high accuracy potential energy surface is constructed and used with an {\it ab initio} dipole moment…
A new line list for hydronium (H$_3$$^{16}$O$^+$) is computed. The line list is based on a new ab initio dipole moment surface (CCSD(T)/aug-cc-pVQZ) and a new empirical potential energy surface (PES). The empirical PES of H$_3$O$^+$ was…
Transition intensities for small molecules such as water and CO$_2$ can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high accuracy ab…
Line lists for the ground electronic ground state for six major isotopologues of nitric oxide are presented. The line lists are constructed using empirical energy levels (and line positions) and high-level {\it ab inito} intensities. The…
New MiZo line lists are presented for the D$_2$H$^+$ and D$_3^+$ isotopologues of H$_3^+$. These line lists plus the existing H$_3^+$ MiZATeP and the Sochi H$_2$D$^+$ line lists are updated using empirical energy levels generated using the…
Potassium hydroxide (KOH) and sodium hydroxide (NaOH) are expected to occur in the atmospheres of hot rocky super-Earth exoplanets but a lack of spectroscopic data is hampering their potential detection. Using robust first-principles…
SiH has long been observed in the spectrum of our Sun and other cool stars. Computed line lists for the main isotopologues of silicon monohydride, $^{28}$SiH, $^{29}$SiH, $^{30}$SiH and $^{28}$SiD are presented. These line lists consider…
Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) ($^{12}$C$^{32}$S, $^{12}$C$^{33}$S, $^{12}$C$^{34}$S, $^{12}$C$^{36}$S, $^{13}$C$^{32}$S, $^{13}$C$^{33}$S, $^{13}$C$^{34}$S, $^{13}$C$^{36}$S)…
The ExoMol database aims to provide comprehensive molecular line lists for exoplanetary and other hot atmospheres. The data are expanded by inclusion of empirically derived line lists taken from the literature for a series of diatomic…
A new hot line list for $^{14}$NH$_3$ is presented. The line list CoYuTe was constructed using an accurate, empirically refined potential energy surface and a CCSD(T)/aug-cc-pVQZ ab initio dipole moment surface of ammonia, previously…
A new hot line list for the main isotopologue of CO$_2$ is presented. The line list consists of almost 2.5 billion transitions between 3.5 million rotation-vibration states of CO$_2$ in its ground electronic state, covering the wavenumber…
A new ro-vibrational line list for the ground electronic state of the main isotopologue of acetylene, $^{12}$C$_2$H$_2$, is computed as part of the ExoMol project. The aCeTY line list covers the transition wavenumbers up to 10,000 cm$^{-1}$…
Accurate line lists are crucial for correctly modelling a variety of astrophysical phenomena, including stellar photospheres and the atmospheres of extra-solar planets. This paper presents a new line database Toto for the main isotopologues…
A new molecular line list for lithium hydroxide ($^{7}$Li$^{16}$O$^{1}$H) covering wavelengths $\lambda > 1 \mu$m (the 0-10000 cm$^{-1}$ range) is presented. The OYT7 line list contains over 331 million transitions between…
A new line list for ethylene, $^{12}$C$_2$$^1$H$_4$ is presented. The line list is based on high level ab initio potential energy and dipole moment surfaces. The potential energy surface is refined by fitting to experimental energies. The…
Comprehensive line lists for phosphorus monoxide ($^{31}$P$^{16}$O) and phosphorus monosulphide ($^{31}$P$^{32}$S) in their $X$ $^2\Pi$ electronic ground state are presented. The line lists are based on new ab initio potential energy (PEC),…
Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 3000 K).…
Accurate rotation-vibration line lists are calculated for silicon monoxide. Line lists are presented for the main isotopologue, $^{28}$Si$^{16}$O, and for four monosubsituted isotopologues ($^{29}$Si$^{16}$O, $^{30}$Si$^{16}$O,…