{"title":"Updated line list for the principal isotopologue of carbon monoxide","authors":"Vladimir G. Ushakov, Emile S. Medvedev","doi":"10.1016/j.jms.2025.112037","DOIUrl":null,"url":null,"abstract":"<div><div>The line list for the principal isotopologue of CO calculated earlier by the present authors (Medvedev, 2022), (Ushakov, 2022) with the irregular dipole-moment function (DMF) is updated with use of the recent high-precision measurements in the 3-0 (Bielska et al., 2022, Hodges et al., 2025) and 7-0 (Balashov et al., 2023) bands. The new data came in contradiction with the experimental data on the 1-0 band (Zou and Varanasi, 2002, Devi et al., 2018). Therefore, we performed fitting several model DMFs to the modified original data set of Meshkov et al. (2022) by including the new above-referenced data and by excluding the data for the 1-0 band. The updated line list is calculated with the irregular DMF. In particular, excellent agreement with recent high-level <em>ab initio</em> calculations on the 3-0 band (Bielska et al., 2022) is emphasized and predictions for the 1-0 and 8-0 bands are outlined. In the new update of the HITRAN database (Gordon et al., 2025) new high-precision measurements in the cold and hot fundamental bands are announced. When these data are published, they will be compared with the predictions of our new line list.</div></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":"413 ","pages":"Article 112037"},"PeriodicalIF":1.3000,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022285225000530","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The line list for the principal isotopologue of CO calculated earlier by the present authors (Medvedev, 2022), (Ushakov, 2022) with the irregular dipole-moment function (DMF) is updated with use of the recent high-precision measurements in the 3-0 (Bielska et al., 2022, Hodges et al., 2025) and 7-0 (Balashov et al., 2023) bands. The new data came in contradiction with the experimental data on the 1-0 band (Zou and Varanasi, 2002, Devi et al., 2018). Therefore, we performed fitting several model DMFs to the modified original data set of Meshkov et al. (2022) by including the new above-referenced data and by excluding the data for the 1-0 band. The updated line list is calculated with the irregular DMF. In particular, excellent agreement with recent high-level ab initio calculations on the 3-0 band (Bielska et al., 2022) is emphasized and predictions for the 1-0 and 8-0 bands are outlined. In the new update of the HITRAN database (Gordon et al., 2025) new high-precision measurements in the cold and hot fundamental bands are announced. When these data are published, they will be compared with the predictions of our new line list.
本文作者(Medvedev, 2022)、(Ushakov, 2022)利用不规则偶极矩函数(DMF)计算出的CO主同位素谱线列表,使用最近在3-0波段(Bielska等人,2022年,Hodges等人,2025年)和7-0波段(Balashov等人,2023年)进行的高精度测量进行了更新。新数据与1-0波段的实验数据相矛盾(Zou和Varanasi, 2002, Devi et al., 2018)。因此,我们对Meshkov et al.(2022)修改后的原始数据集进行了几个模型dmf的拟合,包括新的上述参考数据,并排除了1-0波段的数据。用不规则DMF计算更新后的行表。特别强调了与最近在3-0波段的高级从头计算(Bielska et al., 2022)的良好一致性,并概述了1-0和8-0波段的预测。在最新更新的HITRAN数据库(Gordon et al., 2025)中,宣布了在冷和热基本波段进行的新的高精度测量。当这些数据公布后,它们将与我们的新产品线列表的预测进行比较。
期刊介绍:
The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.