Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5429145 | Journal of Quantitative Spectroscopy and Radiative Transfer | 2012 | 9 Pages |
New line lists for isotopically substituted water are presented. Most line positions were calculated from experimentally determined energy levels, while all line intensities were computed using an ab initio dipole moment surface. Transitions for which experimental energy levels are unavailable use calculated line positions. These line lists cover the range 0.05-20Â 000Â cmâ1 and are significantly more complete and potentially more accurate than the line lists available via standard databases. All lines with intensities (scaled by isotopologue abundance) greater than 10â29Â cm/molecule at 296Â K are included, augmented by weaker lines originating from pure rotational transitions. The final line lists contain 39Â 918 lines for H218O and 27Â 546 for H217O and are presented in standard HITRAN format. The number of experimentally determined H218O and H217O line positions is, respectively, 32Â 970 (83% of the total) and 17Â 073 (62%) and in both cases the average estimated uncertainty is 2Ã10â4Â cmâ1. The number of ab initio line intensities with an estimated uncertainty of 1% is 16Â 621 (42%) for H218O and 13Â 159 (48%) for H217O.
⺠We report new line lists for H218O (39 918 lines) and H217O (27 546). ⺠Line positions in the range 0-20 000 cmâ1 were determined from accurate experimentally derived energy levels. ⺠Line intensities come from state-of-the-art ab initio calculation.