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Oxford University Press, Monthly Notices of the Royal Astronomical Society, 1(463), p. 771-793, 2016

DOI: 10.1093/mnras/stw1969

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

Journal article published in 2016 by Lk McKemmish, Sn Yurchenko ORCID, Jonathan Tennyson
This paper is available in a repository.
This paper is available in a repository.

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Data provided by SHERPA/RoMEO

Abstract

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.