ExoMol line lists – LXVIII: Rotation-vibration-electronic spectroscopy of Potassium Hydride (KH)

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ID: 314745
2026
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Abstract
Abstract Comprehensive line lists for three potassium hydride (KH) isotopologues, 39KH, 40KH and 41KH applicable at high temperatures are presented. Ab initio potential energy curves (PECs), non-adiabatic couplings (NACs), spin-orbit curves, electronic angular momentum curves, and (transitions) dipole moment curves (DMCs) are generated for the X 1Σ+, A 1Σ+, B 1Π, C 1Σ+, a 3Σ+, c 3Σ+ and b 3Π states of KH using the MRCI method. Empirical energy levels are determined for the X 1Σ+, A 1Σ+ and B 1Π states using the MARVEL (Measured Active Rotation Vibration Energy Levels) procedure, and used to refine the corresponding ab initio PECs of X 1Σ+, A 1Σ+ and B 1Π. These PECs and (T)DMCs are used to calculate energies, Einstein A coefficients, lifetimes and partition functions up to 10000 K covering wavenumbers below 40000 cm−1 (≥250 nm) and rotational excitations with J ≤ 130. Calculated energies and state lifetimes are generally in good agreement with experimental values. Emission to unbound X 1Σ+ states contributes significantly to lifetimes of A 1Σ+ rovibronic states. This study should facilitate detections of KH in exoplanet and stellar atmospheres. The Khan line lists are available from the ExoMol database at www.exomol.com.
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Authors Zarak Khan, Ryan P. Brady, Sergei N Yurchenko, Jonathan Tennyson
Journal monthly notices of the royal astronomical society
Year 2026
DOI
10.1093/mnras/stag979
URL
https://doi.org/10.1093/mnras/stag979
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