ExoMol 线表 -- LIX. 高温 N$_2$O 线表
摘要
presented for the parent NO and 4 singly substituted species NO, NO, NNO and NNO. The line lists have been computed with the variational program TROVE using a new empirical potential energy surface (PES) and an accurate ab initio dipole moment surface of NO Ames-1. The PES was obtained by fitting to experimentally derived energies of NO compiled using the well established MARVEL procedure. Here we also introduce an `artificial symmetry group' (AEM) for an efficient construction of rotation-vibrational basis set of a linear non-symmetric triatomic molecule of the XYZ type. The line lists cover the rotational excitations up to and the wavenumber range up to 20000 cm. MARVEL energies are also used to improve predicted line positions resulting in excellent agreement with the available experimental spectra, as demonstrated. An extensive comparison with existing line lists for NO HITRAN, HITEMP, NOSL-296, NOSD-1000 and Ames-296K is provided. The line lists are freely accessible from www.exomol.com.
引用
@article{arxiv.2409.19447,
title = {ExoMol line lists -- LIX. High-temperature line list for N$_2$O},
author = {Sergei N. Yurchenko and Thomas M. Mellor and Jonathan Tennyson},
journal= {arXiv preprint arXiv:2409.19447},
year = {2024}
}