Related papers: Empirical Line Lists in the ExoMol Database
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…
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),…
Computing and using opacities is a key part of modeling and interpreting data of exoplanetary atmospheres. Since the underlying spectroscopic line lists are constantly expanding and currently include up to ~ 10^10 - 10^11 transition lines,…
Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress, we introduce the Quantum Open Organic Molecular (QO2Mol)…
This work presents the AYT2 line list: a comprehensive list of 114 million $^{1}$H$_2$$^{32}$S vibration-rotation transitions computed using an empirically-adjusted potential energy surface and an {\it ab initio} dipole moment surface. The…
This work communicates analysis of aluminum monoxide, AlO, laser-plasma emission records using line strength data and the ExoMol astrophysical database. A nonlinear fitting program computes comparisons of measured and simulated diatomic…
Line lists for the sulphur-containing molecules SH (the mercapto radical) and NS are computed as part of the ExoMol project. These line lists consider transitions within the $X$ ${}^2\Pi$ ground state for $^{32}$SH, $^{33}$SH, $^{34}$SH and…
Imidogen (NH) is a reactive molecule whose presence in astrochemical environments is of interest due to its role in the formation of nitrogen-containing molecules and as a potential probe of nitrogen abundance. Spectroscopic NH monitoring…
SiS has long been observed in the circumstellar medium of the carbon-rich star IRC+10216 CW Leo. Comprehensive and accurate rotation-vibrational line lists and partition functions are computed for 12 isotopologues of silicon sulphide…
Molecular line lists are important for modelling absorption and emission processes in atmospheres of different astronomical objects, such as cool stars and exoplanets. In order to be applicable for high temperatures, line lists for…
Extensive line lists generated as part of the ExoMol project are used to compute lifetimes for individual rotational, rovibrational and rovibronic excited states, and temperature-dependent cooling functions by summing over all…
Methanol (CH$_{3}$OH) is a key complex organic molecule (COM) in the interstellar medium, widely used as a tracer of dense gas and hot molecular cores (HMCs). Using high-resolution ALMA observations from the ATOMS survey, we investigate the…
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…
This work describes the update of NO along with the incorporation of NO$_{2}$ and N$_{2}$O to the HITEMP database. Where appropriate, the HITRAN line lists for the same molecules have also been updated. This work brings the current number…
Accurate line lists for the carbon dimer, C$_2$, are presented. These line lists cover rovibronic transitions between the eight lowest electronic states: $X\,{}^{1}\Sigma_{g}^{+}$, $a\,{}^{3}\Pi_{u}$, $A\,{}^{1}\Pi_{u}$,…
We describe the atomic database of the XSTAR spectral modeling code, summarizing the systematic upgrades carried out in the past twenty years to enable the modeling of K lines from chemical elements with atomic number $Z\leq 30$ and recent…
In this research note, we present linemake, an open-source atomic and molecular line list generator. Rather than a replacement for a number of well-established atomic and molecular spectral databases, linemake aims to be a lightweight,…
Molecular line-transition lists are an essential ingredient for radiative-transfer calculations. With recent databases now surpassing the billion-lines mark, handling them has become computationally prohibitive, due to both the required…
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…
Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, $^{12}$CH$_3{}^{35}$Cl and $^{12}$CH$_3{}^{37}$Cl. The line lists, OYT-35 and OYT-37, are suitable for temperatures up to…