Highly accurate potential energy surface and dipole moment surface for nitrous oxide and 296K infrared line lists for ¹⁴N₂¹⁶O and minor isotopologues

To facilitate the data analysis of current and future high-resolution space telescope missions, we adopt ‘Best Theory + Reliable High-resolution Experiment’ (BTRHE) strategy to develop highly accurate infrared line lists for nitrous oxide (N2O). The ‘Ames-1’ potential energy surface (PES) is a CCSD(T)/aug-cc-pVQZ PES refined using selected HITRAN experimental data, with σrms = 0.02–0.03 cm-1 five isotopologues. dipole moment (DMS) fitted from CCSD(T)/aug-cc-pV(T,Q,5)Z dipoles extrapolated one electron basis set limit. Using Ames-1 DMS, Ames-296K are computed in full range 0–15,000 12 N2O isotopologues, S296K ≥ 10−31 cm-1/molecule.cm-2. reliability consistency intensity predictions (SAmes) demonstrated through comparisons (SHITRAN), NOSL-296 (SNOSL), recent observed intensities (Sobs) Effective Dipole Model (EDM) (SEDM). Agreements discrepancies discussed, along preliminary uncertainty estimate SAmes. SAmes provides good constraint prevent substantial errors (e.g. weak bands minor isotopologues) can be further improved. may complement each other provide improved input database updates, combining strengths EH/EDM BTRHE approaches. Data available at https://doi.org/10.5281/zenodo.7888194 https://doi.org/10.48667/9kmk-0334.