Empirical Line Lists in the ExoMol Database
Yixin Wang, Jonathan Tennyson, Sergei Yurchenko
Abstract
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 molecules, namely CH, NH, OH, AlCl, AlF, OH + , CaF, MgF, KF, NaF, LiCl, LiF, MgH, TiH, CrH, FeH, C 2 , CP, CN, CaH, and triplet N 2 . Generally, these line lists are constructed from measured spectra using a combination of effective rotational Hamiltonian models for the line positions and ab initio (transition) dipole moments to provide intensities. This work results in the inclusion of 22 new molecules (36 new isotopologues) in the ExoMol database.
Topics & Concepts
Diatomic moleculeSpectral lineHamiltonian (control theory)DipolePhysicsAb initioLine (geometry)DatabaseSeries (stratigraphy)Computer scienceMoleculeAtomic physicsInclusion (mineral)Ab initio quantum chemistry methodsInformation retrievalEmpirical researchData miningComputational physicsAstrophysics and Star Formation StudiesAstro and Planetary ScienceMolecular Spectroscopy and Structure