Line lists for the ground states of GaF and InF

• Published in: Journal of quantitative spectroscopy & radiative transfer 2023-08, Vol.304, p.108618, Article 108618
• Main Authors: Du, Shaojie, Zhao, Ziqiang, Hou, Shilin
• Format: Article
• Language: English
• Subjects: Einstein A coefficient; EMO potential function; Line list; Partition function
• ISSN: 0022-4073; 1879-1352
• DOI: 10.1016/j.jqsrt.2023.108618

•High quality effective Hamiltonians for 69,71GaF and 113,115InF determined by direct potential-fitting approach.•Einstein A coefficients and oscillator strengths for transitions of Δv≤5 in the range of v = 0–30 are predicted for 69,71GaF and 113,115InF.•Partition functions given in analytical form for temperatures up to 6000 K for 69,71GaF and 113,115InF.•The extensive line lists obtained are significant for measurements of both GaF and InF in hot environments of various temperatures. Rotation-vibrational line lists for 69,71GaF and 113,115InF in their ground electronic states are calculated. Empirical Hamiltonians determined by a direct potential-fitting approach using observed transition frequencies are used in line lists calculations. The reproduced transition frequencies are within the observation uncertainties in the range of experimental data. The dipole moment functions calculated using ab initio method at equilibrium nuclear separations are almost identical to the experimental results. The calculated intensities agree well with the laboratory observations. Transitions of Δv=0–4, ΔJ=±1 in the range of v = 0–30, Jmax=131–251 are predicted for 69GaF and 71GaF. For 113InF and 115InF, transitions of Δv=0–5, ΔJ=±1 in the range of v = 0–30 and Jmax=151–259 are predicted. The corresponding Einstein A coefficients and oscillator strengths are predicted. Partition functions for temperatures up to 6000 K have been calculated. The line lists can be used for spectroscopic measurements of GaF and InF in hot environments of various temperatures.