ExoMol line lists – XVIII. The high-temperature spectrum of VO

By Laura K. McKemmish, Sergei N. Yurchenko, Jonathan Tennyson. 2016

141 citations recorded by the source corpus.

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 ab initio electronic structure calculations and then tuned using available experimental data. Dipole moment curves, used to obtain transition intensities, are computed using high levels of theory (e.g. MRCI/aug-cc-pVQZ using state-specific or minimal-state complete active space for dipole moments). This line list contains over 277 million transitions between almost 640 000 energy levels. It covers the wavelengths longer than 0.29 μm and includes all transitions from energy levels within the lowest nine electronic states which have energies less than 20 000 cm−1 to upper states within the lowest 13 electronic states which have energies below 50 000 cm−1. The line lists give significantly increased absorption at infrared wavelengths compared to currently available VO line lists. The full line lists is made available in electronic form via the CDS database and at www.exomol.com.

Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/8a09e757b90d1a410b37662d0c1b5560a54e5bf5

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Citations in the corpus

ExoMol molecular line lists – XXXIII. The spectrum of Titanium Oxide (2019, methodology): “The functional form of the diagonal dipole moment curves is derived from a diabatic model for an avoided crossing between a neutral and ionic electronic state, as discussed by McKemmish et al. (2016b).”
A Population Study of Gaseous Exoplanets (2017, unknown): “VO (McKemmish et al. 2016) and TiO (McKemmish in prep.) were added to the mix for planets with equilibrium temperatures exceeding 1400 K. TauREx is designed to operate with either absorption crosssections or correlated-k coefficients.”