2018/04/19 by Apoorva Upadhyay, E. K. Conway, Eamon K. Conway +3
Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Ab initio #Astronomy #Astrophysics #Astrophysics and Star Formation Studies #Atmospheric Ozone and Climate #Atomic physics #Dipole #Geometry #Ground state #HITRAN #Isotopologue #Line (geometry) #Molecular Spectroscopy and Structure #Optoelectronics #Physics #Potential energy #Quantum mechanics #Silicon #Spectral line #astro-ph.EP #astro-ph.GA #astro-ph.SR
paper · pdf · doi:10.1093/mnras/sty998
published as MNRAS, 477, 1520-1527 (2018)
openalex publication_date 2018/04/19 · arxiv created 2018/06/28 · arxiv updated 2018/08/21 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
SiS has long been observed in the circumstellar medium of the carbon-rich star IRC+10216 CW Leo. Comprehensive and accurate rotation–vibrational line lists and partition functions are computed for 12 isotopologues of silicon sulphide (28Si32S, 28Si34S, 29Si32S, 28Si33S, 30Si32S, 29Si34S, 30Si34S, 28Si36S, 29Si33S, 29Si36S, 30Si33S, and 30Si36S) in its ground (X 1Σ+) electronic state. The calculations employ an existing spectroscopically accurate potential energy curve (PEC) derived from experimental measurements and a newly computed ab initio dipole moment curve (DMC). The 28Si32S line list includes 10 104 states and 91 715 transitions. These line lists are available from the ExoMol website (www.exomol.com) and the CDS data base.