Line Lists for the State of CS

IF 8.6 1区 物理与天体物理 Q1 ASTRONOMY & ASTROPHYSICS Astrophysical Journal Supplement Series Pub Date : 2020-01-01 DOI:10.3847/1538-4365/ab61ef
Shilin Hou, Zhengxing Wei
{"title":"Line Lists for the State of CS","authors":"Shilin Hou, Zhengxing Wei","doi":"10.3847/1538-4365/ab61ef","DOIUrl":null,"url":null,"abstract":"Rotation-vibrational line lists for eight isotopologues of carbon monosulphide (CS; 12C32S, 12C33S, 12C34S, 12C36S,13C32S, 13C33S,13C34S, and 13C36S) in their ground electronic state (X1Σ+) are calculated. An empirical potential function with the corrections of Born–Oppenheimer breakdown effects, which are determined by a direct potential fitting approach using over 4300 observed transition frequencies of 12C32S, 12C33S, 12C34S, and 13C32S, is used in line list calculations. The reproduced transition frequencies are within the observation uncertainties for the isotopologues with experimental data. The dipole moment functions are calculated using an ab initio method at a multireference configuration interaction method/cc-pv5z level with a large active space of electronic configuration. The dipole moment at equilibrium nuclear separation is almost identical to the experimental result. The calculated intensities agree excellently with the laboratory observations at 2573 K. The corresponding Einstein A coefficients and oscillator strengths are predicted. Partition functions for temperatures up to 7500 K have been calculated. The line lists can be used for spectroscopic measurements of CS in astronomical environments of various temperatures.","PeriodicalId":8588,"journal":{"name":"Astrophysical Journal Supplement Series","volume":"246 1","pages":""},"PeriodicalIF":8.6000,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.3847/1538-4365/ab61ef","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Astrophysical Journal Supplement Series","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.3847/1538-4365/ab61ef","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ASTRONOMY & ASTROPHYSICS","Score":null,"Total":0}
引用次数: 0

Abstract

Rotation-vibrational line lists for eight isotopologues of carbon monosulphide (CS; 12C32S, 12C33S, 12C34S, 12C36S,13C32S, 13C33S,13C34S, and 13C36S) in their ground electronic state (X1Σ+) are calculated. An empirical potential function with the corrections of Born–Oppenheimer breakdown effects, which are determined by a direct potential fitting approach using over 4300 observed transition frequencies of 12C32S, 12C33S, 12C34S, and 13C32S, is used in line list calculations. The reproduced transition frequencies are within the observation uncertainties for the isotopologues with experimental data. The dipole moment functions are calculated using an ab initio method at a multireference configuration interaction method/cc-pv5z level with a large active space of electronic configuration. The dipole moment at equilibrium nuclear separation is almost identical to the experimental result. The calculated intensities agree excellently with the laboratory observations at 2573 K. The corresponding Einstein A coefficients and oscillator strengths are predicted. Partition functions for temperatures up to 7500 K have been calculated. The line lists can be used for spectroscopic measurements of CS in astronomical environments of various temperatures.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
CS状态的行列表
八种单硫化碳同位素物的旋转-振动谱表计算12C32S、12C33S、12C34S、12C36S、13C32S、13C33S、13C34S、13C36S)的基电子态(X1Σ+)。利用12C32S、12C33S、12C34S和13C32S超过4300个观测到的跃迁频率,通过直接电位拟合方法确定了Born-Oppenheimer击穿效应修正后的经验势函数,用于线表计算。再现的跃迁频率在实验数据的观测不确定度范围内。在具有较大电子组态主动空间的多参考组态相互作用方法/cc-pv5z水平上,用从头算方法计算了偶极矩函数。平衡核分离时的偶极矩与实验结果基本一致。计算强度与2573 K时的实验室观测结果吻合良好。预测了相应的爱因斯坦A系数和振子强度。已经计算了温度高达7500 K的配分函数。谱表可用于不同温度天文环境下CS的光谱测量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Astrophysical Journal Supplement Series
Astrophysical Journal Supplement Series 地学天文-天文与天体物理
CiteScore
14.50
自引率
5.70%
发文量
264
审稿时长
2 months
期刊介绍: The Astrophysical Journal Supplement (ApJS) serves as an open-access journal that publishes significant articles featuring extensive data or calculations in the field of astrophysics. It also facilitates Special Issues, presenting thematically related papers simultaneously in a single volume.
期刊最新文献
The Effect of Gravitational Decoupling on Constraining the Mass and Radius for the Secondary Component of GW190814 and Other Self-bound Strange Stars in f(Q) Gravity Theory Toward Machine-learning-based Metastudies: Applications to Cosmological Parameters JWST Census for the Mass–Metallicity Star Formation Relations at z = 4–10 with Self-consistent Flux Calibration and Proper Metallicity Calibrators Photoionization from the Ground and Excited Vibrational States of H2+ and Its Deuterated Isotopologues The Farmer: A Reproducible Profile-fitting Photometry Package for Deep Galaxy Surveys
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1