ExoMol line list XXXIV: A Rovibrational Line List for Phosphinidene (PH) in its X\,3- and a\,1 Electronic States
Abstract
A rovibronic line list for the ground (X 3-) and first excited (a 1) 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 are 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 Schr\"odinger 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 (DMC) X-X and a-a. The resulting LaTY line list, which contains 65055 transitions for 2528 rovibronic states up to 24500 cm-1 and J=80 is used to simulate spectra in emission and absorption at a range of temperatures. The line list is made available in electronic form at the CDS and ExoMol databases.