225 citations · 291 across the 7 of their papers we have counts for
7 papers
The 2024 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
Jonathan Tennyson, Sergei N. Yurchenko, Jingxin Zhang +27
The ExoMol database (www.exomol.com) provides molecular data for spectroscopic studies of hot atmospheres. These data are widely used to model atmospheres of exoplanets, cool stars…
Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for ZrO
Armando N. Perri, Fadia Taher, Laura K. McKemmish
Zirconium monoxide (ZrO) absorption lines define rare S-type stars and are currently being sought on exoplanets. Successful detection is dependent on an accurate and comprehensive…
Model Chemistry Recommendations for Scaled Harmonic Frequency Calculations: A Benchmark Study
Juan C. Zapata Trujillo, Laura K. McKemmish
Despite the popularity of scaled harmonic frequency calculations in chemistry, sparse benchmarking is available to guide users on appropriate level of theory and basis set choices…
VIBFREQ1295: A New Database for Vibrational Frequency Calculations
Juan C. Zapata Trujillo, Laura K. McKemmish
High-throughput approaches for producing approximate vibrational spectral data for molecules of astrochemistry interest rely on scaled harmonic frequency calculations. However, lev…
Low temperature scattering with the R-matrix method: argon-argon scattering
Tom Rivlin, Laura K. McKemmish, K. Eryn Spinlove +1
Results for elastic atom-atom scattering are obtained as a first practical application of RmatReact, a new code for generating high-accuracy scattering observables from potential e…
ExoMol line lists XVIII. The high temperature spectrum of VO
Laura K. McKemmish, Sergei N. Yurchenko, Jonathan Tennyson
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 {\it a…