相关论文: ExoMolHR: A Relational Database of Empirical High-…
The identification of molecules in exoplanetary atmospheres is only possible thanks to the availability of high-resolution molecular spectroscopic data. However, due to its intensive and time-consuming generation process, at present, only…
We present Molecular Vibration Explorer, a freely accessible online database and interactive tool for exploring vibrational spectra and tensorial light-vibration coupling strengths of a large collection of thiolated molecules. The `Gold'…
[Abridged] Recently, there have been a series of detections of molecules in the atmospheres of extrasolar planets using high spectral resolution (R~100,000) observations, mostly using the CRyogenic high-resolution InfraRed Echelle…
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…
In this study, we explore the potential of machine learning for modeling molecular electronic spectral intensities as a continuous function in a given wavelength range. Since presently available chemical space datasets provide excitation…
The spectrum of an exoplanet reveals the physical, chemical, and biological processes that have shaped its history and govern its future. However, observations of exoplanet spectra are complicated by the overwhelming glare of their host…
We develop a new, simple, fast and parameter-free method to construct dark matter halo catalogues. This method requires as inputs only the linear matter power spectrum and the threshold density for halo formation in linear theory. It…
Exoplanet science often involves using the system parameters of real exoplanets for tasks such as simulations, fitting routines, and target selection for proposals. Several exoplanet catalogues are already well established but often lack a…
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…
Wave equations help us to understand phenomena ranging from earthquakes to tsunamis. These phenomena materialise over very large scales. It would be computationally infeasible to track them over a regular mesh. Yet, since the phenomena are…
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…
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…
A general variational approach for computing the rovibrational dynamics of polyatomic molecules in the presence of external electric fields is presented. Highly accurate, full-dimensional variational calculations provide a basis of…
The recently-computed ExoMol line lists for isotopologues of AlH are used to analyse the blue spectrum (4000-4500 {\AA}) of Proxima Cen (M5.5 V). Comparison of the observed and computed spectra enables the identification of a large number…
Topological indices are graph-theoretic descriptors that play a crucial role in mathematical chemistry, capturing the structural characteristics of molecules and enabling the prediction of their physicochemical properties. A widely studied…
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$_2$,…
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…
A new generation of exoplanet research beckons and with it the need for simulation tools that accurately predict signal and noise in transit spectroscopy observations. We developed ExoSim: an end-to-end simulator that models noise and…
We present here the first release of the open-source python package ExoTETHyS, which aims to provide a stand-alone set of tools for modeling spectro-photometric observations of the transiting exoplanets. In particular, we describe: (1) a…
Within the ESPRESSO project a new flexible data reduction library is being built. ESPRESSO, the Echelle SPectrograph for Rocky Exoplanets and Stable Spectral Observations is a fiber-fed, high-resolution, cross-dispersed echelle…