相关论文: An Algorithm to Compress Line-transition Data for …
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…
A revised rotation-vibration line list for the combined hydrogen cyanide (HCN) / hydrogen isocyanide (HNC) system is presented. The line list uses {\it ab initio} transition intensities calculated previously (Harris et al., ApJ, 2002, 578,…
An accurate line list, VOMYT, of spectroscopic transitions is presented for hot VO. The 13 lowest electronic states are considered. Curves and couplings are based on initial {\it ab initio} electronic structure calculations and then tuned…
A computed line list for formaldehyde, H$_2{}^{12}$C$^{16}$O, applicable to temperatures up to $T=1500$~K is presented. An empirical potential energy and {\it ab initio} dipole moment surfaces are used as the input to nuclear motion program…
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…
Accurate line lists are calculated for aluminium monoxide covering the pure rotation, rotation-vibration and electronic (B -- X blue-green and A -- X infrared bands) spectrum. Line lists are presented for the main isotopologue,…
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…
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…
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…
Method of evaluating chemical shifts of X-ray emission lines for sufficiently heavy atoms (beginning from period 4 elements) in chemical compounds is developed. This method is based on the pseudopotential model and one-center restoration…
Molecules with hyperfine splitting of their rotational line spectra are useful probes of optical depth, via the relative line strengths of their hyperfine components.The hyperfine splitting is particularly advantageous in interpreting the…
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…
Nitric acid is a possible biomarker in the atmospheres of exoplanets. An accurate line list of rotational and rotational-vibrational transitions is computed for nitric acid (HNO$_3$). This line list covers wavelengths longer than 1.42…
Comparison is made between a number of independent computer programs for radiative transfer in molecular rotational lines. The test models are spherically symmetric circumstellar envelopes with a given density and temperature profile. The…
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…
In the Super-Transition-Array statistical method for the computation of radiative opacity of hot dense matter, the moments of the absorption or emission features involve partition functions with reduced degeneracies, occurring through the…
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…
Accurate rotational-vibrational line lists for $^{31}$P$^{14}$N and $^{31}$P$^{15}$N in their ground electronic states are computed. The line lists are produced using an empirical potential energy curve obtained by fitting to the…
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…