A high accuracy computed line list for the HDO molecule

Abstract

A computed list of HD16O infrared transition frequencies and intensities is presented. The list, VTT, was produced using a discrete variable representation two-step approach for solving the rotation–vibration nuclear motions. The VTT line list contains almost 700 million transitions and can be used to simulate spectra of mono-deuterated water over the entire temperature range that are of importance for astrophysics. The line list can be used for deuterium-rich environments, such as the atmosphere of Venus, and to construct a possible ‘deuterium test’ to distinguish brown dwarfs from planetary mass objects.