Line lists for H218O and H217O based on empirical line positions and ab initio intensities
| Autor: | Lorenzo Lodi, Jonathan Tennyson |
|---|---|
| Rok vydání: | 2012 |
| Předmět: |
Physics
Radiation 010504 meteorology & atmospheric sciences Atmospheric physics Ab initio Infrared spectra 01 natural sciences Atomic and Molecular Physics and Optics 010309 optics Line list Moment (mathematics) Microwave spectra Dipole Transition wavenumbers 0103 physical sciences Isotopologue HITRAN Line (text file) Atomic physics Transition intensities Spectroscopy Water vapor 0105 earth and related environmental sciences |
| Zdroj: | Journal of Quantitative Spectroscopy and Radiative Transfer. 113(11):850-858 |
| ISSN: | 0022-4073 |
| DOI: | 10.1016/j.jqsrt.2012.02.023 |
| Popis: | 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 0.05–20 000 cm−1 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 10−29 cm/molecule at 296 K are included, augmented by weaker lines originating from pure rotational transitions. The final line lists contain 39 918 lines for H218O and 27 546 for H217O and are presented in standard HITRAN format. The number of experimentally determined H218O and H217O line positions is, respectively, 32 970 (83% of the total) and 17 073 (62%) and in both cases the average estimated uncertainty is 2×10−4 cm−1. The number of ab initio line intensities with an estimated uncertainty of 1% is 16 621 (42%) for H218O and 13 159 (48%) for H217O. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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