A room temperature CO$_2$ line list with ab initio computed intensities
Abstract
Atmospheric carbon dioxide concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5% or better. We report a theoretical study providing rotation-vibration line intensities substantially within the required accuracy based on the use of a highly accurate {\it ab initio} dipole moment surface (DMS). The theoretical model developed is used to compute CO intensities with uncertainty estimates informed by cross comparing line lists calculated using pairs of potential energy surfaces (PES) and DMS's of similar high quality. This yields lines sensitivities which are utilized in reliability analysis of our results. The final outcome is compared to recent accurate measurements as well as the HITRAN2012 database. Transition frequencies are obtained from effective Hamiltonian calculations to produce a comprehensive line list covering all CO transitions below 8000 cm and stronger than 10 cm / molecule at ~K
Cite
@article{arxiv.1601.05334,
title = {A room temperature CO$_2$ line list with ab initio computed intensities},
author = {Emil Zak and Jonathan Tennyson and Oleg L. Polyansky and Lorenzo Lodi and Nikolay F. Zobov and Sergey A. Tashkun and Valery I. Perevalov},
journal= {arXiv preprint arXiv:1601.05334},
year = {2016}
}