Molecular lines

Molecular opacities in stellar atmospheres become increasingly important at low temperatures, requiring a comprehensive list of transitions for a wide variety of molecules in modelling software. This page lists molecular data included in our PHOENIX setup alongside relevant literature references. Please communicate mistakes to

Identifier Species Source Reference
41.3M lines
H16OD Ab initio calculations for heavy water by NASA Ames center. Partridge+1997
505M lines
H2O Comprehensive list of water lines based on ab initio calculations by University College London. Barber+2006
5.7M lines
12C12C, 12C13C, 12C15N, 12CH, 13C13C, 13C15N, 13CH, 14NH, 15NH, 17OH, 28Si16O, 28Si18O, 28SiH, 29Si16O, 29SiH, 30Si16O, 30SiH, H2 Compilation of diatomic molecular lines by Robert Kurucz calculated using rotational constants determined by fitting known energy levels. Originally released on CD-ROM #15. Kurucz 1995
4.0M lines
12C16O17O, 12C16O18O, 12C16O2, 12C18O2, 13C16O17O, 13C16O18O, 13C16O2 Lines from Carbon Dioxide Spectroscopic Databank (CDSD) generated based on observed dipole moments. Tashkun+2011
6.7K lines
14NH3 Ammonia lines provided by Christopher Sharp based on revised HITRAN database. Sharp+2007
267K lines
90ZrO, 91ZrO, 92ZrO, 93ZrO, 94ZrO, 95ZrO, 96ZrO, YO Zirconium and yttrium monoxide lines used in opacity calculations by David R Alexander and Jason Ferguson, based on measurements from Littleton+1985. Ferguson+2005
134K lines
12C16O, 12C17O, 12C18O, 13C16O, 13C17O, 13C18O, 14C16O Revised carbon monoxide lines for 7 isotopes by David Goorvitch based on electric dipoles calculated in Goorvitch+1994. Goorvitch 1994
1.3M lines
12C12CH2, 12C12CH4, 12C12CH6, 12C13CH2, 12C13CH4, 12C16O19F2, 12CH316OH, 12CH335Cl, 12CH337Cl, 12CH3D, 14N14N, 14N14N16O, 14N14N17O, 14N14N18O, 14N15N16O, 14N16O, 14N16O2, 14N16O+, 14N18O, 14NH3, 15N14N16O, 15N16O, 15NH3, 16O12C32S, 16O12C33S, 16O12C34S, 16O13C32S, 16O16O, 16O16O17O, 16O16O18O, 16O17O, 16O17O16O, 16O18O, 16O18O16O, 16O3, 18O12C32S, 32S16O2, 32S19F6, 34S16O2, 35Cl16O, 37Cl16O, H127I, H12C14N, H12C15N, H12C16OOH, H13C14N, H14N16O3, H16O35Cl, H16O37Cl, H16O79Br, H16O81Br, H16O2, H17OD, H18OD, H19F, H35Cl, H37Cl, H79Br, H81Br, H212C16O, H212C18O, H213C16O, H216O2, H217O, H218O, H232S, H233S, H234S Molecular lines from the High-Resolution Transmission Molecular Absorption Database (HITRAN) by Harvard-Smithsonian Center for Astrophysics, 2004 edition. Rothman+2004
31.2K lines
12C17O18O, 13C18O2, 16OH, 18OH, 31PH3 Molecular lines from the High-Resolution Transmission Molecular Absorption Database (HITRAN) by Harvard-Smithsonian Center for Astrophysics, 2008 edition. Rothman 2008
2.2M lines
12C14N, 13C14N Cyanide lines calculated by Uffe Jørgensen based on a model fit to 10 000 observed frequencies from Berkeley Atlas of Molecular Spectra. Jørgensen+1990
34.6K lines
12CH4 Experimental methane transitions provided by Linda Brown for HITRAN in P5 (icosad) vibrational polyad. Brown 2005
3.1M lines
H3+ Ab initio calculations for trihydrogen cation by Liesl Neale and Jonathan Tennyson. Neale+1995
301K lines
CrH , FeH , TiH Calculated line lists for key molecules found in brown dwarf atmospheres, currently available through the MoLLIST (Molecular Line Lists, Intensities and Spectra) database. Bernath 2020
53.8K lines
24MgH, 25MgH, 26MgH Magnesium monohydride lines based on theoretical dipole moments adjusted for experimental data calculated to improve the accuracy of PHOENIX models at low temperatures. Weck+2003
14.6M lines
40CaH, 46TiO, 47TiO, 48TiO, 49TiO, 50TiO, VO Lines of selected diatomic molecules inherited from the line lists used by MARCS atmospheres provided by Bertrand Plez in private communication. Plez 2008
31.3M lines
12CH4, 13CH4 Methane lines generated using the Spherical Top Data System (STDS) by the PHOENIX collaboration. Wenger+1998

The diagram below visualizes the distribution of lines across the electromagnetic spectrum. Shaded in maroon are the regions with at least 0.0004 lines per log10(Å). The curves show the line density, normalized to the peak density of the identifier.