相关论文: Exomol molecular line lists VI: A high temperature…
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…
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…
Remote sensing experiments require high-accuracy, preferably sub-percent, line intensities and in response to this need we present computed room temperature line lists for six symmetric isotopologues of carbon dioxide: $^{13}$C$^{16}$O$_2$,…
A comprehensive, calculated line list of frequencies and transition probabilities for the singly deuterated isotopologue of H3+, H2D+, is presented. The line list, called ST1, contains over 22 million rotational-vibrational transitions…
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…
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…
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 laboratory data. The actual line lists are generated…
Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$C$^{16}$O$_2$, $^{13}$C$^{16}$O$_2$, $^{12}$C$^{17}$O$_2$, $^{13}$C$^{17}$O$_2$, $^{12}$C$^{18}$O$_2$, $^{13}$C$^{18}$O$_2$,…
ExoMolHR is an empirical, high-resolution molecular spectrum calculator for the high-temperature molecular line lists available from the ExoMol molecular database. Uncertainties, where available, in recommended ExoMol datasets are used to…
Calculations are reported on the rotation-vibration energy levels of the arsine molecule with associated transition intensities. A potential energy surface (PES) obtained from \textit{ab initio} electronic structure calculations is refined…
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…
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…
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…
Silicon mononitride ($^{28}$Si$^{14}$N, $^{29}$Si$^{14}$N, $^{30}$Si$^{14}$N, $^{28}$Si$^{15}$N) line lists covering infrared, visible and ultraviolet regions are presented. The \name\ line lists produced by ExoMol include rovibronic…
A rotation-vibration line list for the electronic ground state ($\tilde{X}^{1}A_{1}$) of SiH$_2$ is presented. The line list, named CATS, is suitable for temperatures up to 2000 K and covers the wavenumber range 0 - 10,000…
Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a novel method for using the large set of experimental energy…
A new line list for AlH is produced. The WYLLoT line list spans two electronic states $X\,{}^1\Sigma^+$ and $A\,{}^1\Pi$. A diabatic model is used to model the shallow potential energy curve of the $A\,{}^1\Pi$ state, which has a strong…
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…
A comprehensive, hyperfine-resolved rotation-vibration line list for the ammonia molecule ($^{14}$NH$_3$) is presented. The line list, which considers hyperfine nuclear quadrupole coupling effects, has been computed using robust, first…
Empirical line lists for the open shell molecule $^{89}$Y$^{16}$O (yttrium oxide) and its isotopologues are presented. The line lists cover the 6 lowest electronic states: $X {}^{2}\Sigma^{+}$, $A {}^{2}\Pi$, $A' {}^{2}\Delta$, $B…