Monthly Notices of the Royal Astronomical Society
A rovibronic line list for the ground (X3Σ−) and first excited (a1Δ) states of phosphinidene, 31PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with temperatures up to 4000 K. A combination of empirical and ab initio data is used to produce the line list: potential energy curves (PECs) are fitted using experimental transition frequencies; these transitions are reproduced with a root mean square error of 0.01 cm−1. The nuclear Schrödinger equation is solved using these PECs plus Born–Oppenheimer and spin splitting correction terms. Line intensities and Einstein A coefficients are computed using ab initio dipole moment curves for X – X and a – a transitions. The resulting LaTY line list, which contains 65 055 transitions for 2528 rovibronic states up to 24 500 cm−1 and J = 80, is used to simulate spectra in emission and absorption for a range of temperatures. The line list is made available in electronic form at the CDS and ExoMol data bases.
Original Publication Citation
Langleben, J., Tennyson, J., Yurchenko, S. N., & Bernath, P. (2019). ExoMol line list - XXXIV. A rovibrational line list for phosphinidene (PH) in its X³Σ¯ and a¹Δ electronic states. Monthly Notices of the Royal Astronomical Society, 488(2), 2332-2342. doi:10.1093/mnras/stz1856
Langleben, Jonathan; Tennyson, Jonathan; Yurchenko, Sergei N.; and Bernath, Peter, "ExoMol Line List - XXXIV. A Rovibrational Line List for Phosphinidene (PH) In Its X³Σ¯ and a¹Δ Electronic States" (2019). Chemistry & Biochemistry Faculty Publications. 175.