Line lists for H 218O and H 217O based on empirical line positions and ab initio intensities

83Citations
Citations of this article
28Readers
Mendeley users who have this article in their library.

Abstract

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 0.05-20000cm -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 -29cm/molecule at 296K are included, augmented by weaker lines originating from pure rotational transitions. The final line lists contain 39918 lines for H 218O and 27546 for H 217O and are presented in standard HITRAN format. The number of experimentally determined H 218O and H 217O line positions is, respectively, 32970 (83% of the total) and 17073 (62%) and in both cases the average estimated uncertainty is 2×10 -4cm -1. The number of ab initio line intensities with an estimated uncertainty of 1% is 16621 (42%) for H 218O and 13159 (48%) for H 217O. © 2012 Elsevier Ltd.

Cite

CITATION STYLE

APA

Lodi, L., & Tennyson, J. (2012). Line lists for H 218O and H 217O based on empirical line positions and ab initio intensities. Journal of Quantitative Spectroscopy and Radiative Transfer, 113(11), 850–858. https://doi.org/10.1016/j.jqsrt.2012.02.023

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free