2024/10/21 by Kirill Batrakov, S. N. Yurchenko, Batrakov, Kirill +13
Chemistry · Engineering · #Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Mass Spectrometry Techniques and Applications #Plasma Diagnostics and Applications #Solar and Stellar Astrophysics (astro-ph.SR) #Spectroscopy and Laser Applications
paper · pdf · doi:10.48550/arxiv.2410.16575
openalex publication_date 2024/10/21 · openalex created_date 2024/11/13 · openalex updated_date 2026/07/28
New line lists for four isotopologues of nickel monohydride, 58NiH, 60NiH, 62NiH, and 58NiD are presented covering the wavenumber range <10000 cm-1 (λ> 1 μm), J up to 37.5 for transitions within and between the three lowest-lying electronic states, X 2Δ, W 2Π, and V 2Σ+. The line lists are applicable for temperatures up to 5000 K. The line lists calculations are based on a recent empirical NiH spectroscopic model [Havalyova et al. J. Quant. Spectrosc. Radiat. Transf., 272, 107800, (2021)] which is adapted for the variational nuclear-motion code Duo. The model consists of potential energy curves, spin-orbit coupling curves, electronic angular momentum curves, spin-rotation coupling curves, Λ-doubling correction curve for 2Π states and Born-Oppenheimer breakdown (BOB) rotational correction curves. New ab initio dipole moment curves, scaled to match the experimental dipole moment of the ground state, are used to compute Einstein A coefficients. The BYOT line lists are included in the ExoMol database at www.exomol.com.