A hyperfine-resolved spectroscopic model for vanadium monoxide (
            <sup>51</sup>
            V
            <sup>16</sup>
            O)

Bowesman, Charles A.; Yurchenko, Sergei N.; Tennyson, Jonathan

doi:10.1080/00268976.2023.2255299

Molecular Physics

2023

DOI: 10.1080/00268976.2023.2255299

|View full text |Cite

A hyperfine-resolved spectroscopic model for vanadium monoxide ( ⁵¹ V ¹⁶ O)

Charles A. Bowesman,

Sergei N. Yurchenko,

Jonathan Tennyson

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2023

2024

Publication Types

Select...

Article4

Relationship

Self Cite0

Independent4

Authors

Journals

Cited by 4 publications

References 93 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Tennyson,

Yurchenko,

Zhang

et al. 2024

Journal of Quantitative Spectroscopy and Radiative Transfer

View full text Add to dashboard Cite

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Tennyson,

Yurchenko,

Zhang

et al. 2024

Journal of Quantitative Spectroscopy and Radiative Transfer

View full text Add to dashboard Cite

ExoMol line lists – LIII: empirical rovibronic spectra of yttrium oxide

Yurchenko,

Brady,

Tennyson

et al. 2023

Monthly Notices of the Royal Astronomical Society

View full text Add to dashboard Cite

Empirical line lists BRYTS for the open shell molecule 89Y16O (yttrium oxide) and its isotopologues are presented. The line list covers the 6 lowest electronic states: X 2Σ+, A 2Π, A′ 2Δ, B 2Σ+, C 2Π and D 2Σ+ up to 60 000 cm−1 (<0.167 μm) for rotational excitation up to J = 400.5. An ab initio spectroscopic model consisting of potential energy curves (PECs), spin-orbit and electronic angular momentum couplings is refined by fitting to experimentally determined energies of YO, derived from published YO experimental transition frequency data. The model is complemented by empirical spin-rotation and Λ-doubling curves and ab initio dipole moment and transition dipole moment curves computed using MRCI. The ab initio PECs computed using the complete basis set limit extrapolation and the CCSD(T) method with its higher quality provide an excellent initial approximation for the refinement. Non-adiabatic coupling curves for two pairs of states of the same symmetry A/C and B/D are computed using a state-averaged CASSCF and used to build diabatic representations for the A 2Π, C 2Π, B 2Σ+ and D 2Σ+ curves. The experimentally derived energies of 89Y16O utilised in the fit are used to replace the corresponding calculated energy values in the BRYTS line list. Simulated spectra of YO show excellent agreement with the experiment, where it is available. Calculated lifetimes of YO are tuned to agree well with the experiment, where available. The BRYTS YO line lists are available from the ExoMol database (www.exomol.com).

show abstract

ExoMol line lists – LV: hyperfine-resolved molecular line list for vanadium monoxide (51V16O)

Bowesman,

Qu,

McKemmish

et al. 2024

Monthly Notices of the Royal Astronomical Society

View full text Add to dashboard Cite

The new hyperfine-resolved HyVO line lists for vanadium monoxide (51V16O) is presented. The new line list considers 15 electronic states and comprises almost 59 billion transitions between 3.4 million energy levels, up to 45 000 cm−1. Empirical energy levels obtained through the Marvel procedure are used to update calculated values to experimental accuracy, making the line list well suited for high-resolution experiments. Machine learning is utilised to refine the energies of levels in important bands, where empirical values are not known. These updates allow for the accurate prediction of line positions in regions of astrophysical interest, particularly in strong rovibronic bands in the infrared and visible. Previously published ab initio transition dipole moment curves are adjusted based on experimental lifetime measurements, resulting in increased intensities in key regions. The line list covers levels up to F = 150 and is complete up to 5 400 K, making it well suited for studies of ultra-hot Jupiter and M-type stellar atmospheres where VO is believed to be a strong source of opacities. The full line list is made available via www.exomol.com.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

A hyperfine-resolved spectroscopic model for vanadium monoxide ( ⁵¹ V ¹⁶ O)

Cited by 4 publications

References 93 publications

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

ExoMol line lists – LIII: empirical rovibronic spectra of yttrium oxide

ExoMol line lists – LV: hyperfine-resolved molecular line list for vanadium monoxide (51V16O)

Contact Info

Product

Resources

About

A hyperfine-resolved spectroscopic model for vanadium monoxide ( 51 V 16 O)

Cited by 4 publications

References 93 publications

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

ExoMol line lists – LIII: empirical rovibronic spectra of yttrium oxide

ExoMol line lists – LV: hyperfine-resolved molecular line list for vanadium monoxide (51V16O)

Contact Info

Product

Resources

About

A hyperfine-resolved spectroscopic model for vanadium monoxide ( ⁵¹ V ¹⁶ O)