A high-accuracy computed water line list

Key Points

• To calculate a highly comprehensive and accurate list of infrared transition frequencies and intensities for water molecules (H2^16O).
• Solved rotation-vibration nuclear motions of H2^16O using a two-step discrete variable representation approach to generate the BT2 line list.
• Benchmarked the theoretical calculations against empirical astronomical observations and laboratory spectroscopic datasets.
• Generated the BT2 list comprising over 500 million transitions, exceeding all existing line lists in size by 65 percent.
• Achieved high accuracy, with over 90 percent of all known experimental energy levels matching BT2 calculations within 0.3 cm^-1.