A Hyperfine-resolved Rotation–Vibration Line List of Ammonia (NH 3 )

Abstract

A comprehensive, hyperfine-resolved rotation–vibration line list for the ammonia molecule ( 14 NH 3 ) is presented. The line list, which considers hyperfine nuclear quadrupole coupling effects, has been computed using robust, first principles methodologies based on a highly accurate empirically refined potential energy surface. Transitions between levels with energies below 8000 cm −1 and total angular momentum F  ≤ 14 are considered. The line list shows excellent agreement with a range of experimental data and will significantly assist future high-resolution measurements of NH 3 , both astronomically and in the laboratory.