硼原子最低重态和四重态之间的能量差

K. Strasburger
{"title":"硼原子最低重态和四重态之间的能量差","authors":"K. Strasburger","doi":"10.1103/physreva.102.052806","DOIUrl":null,"url":null,"abstract":"The energies of the lowest $^2P_u$, $^4P_g$ and $2D_g$ states of the boron atom are calculated with $\\mu$hartree accuracy, in the basis of symmetrized, explicitly correlated Gaussian lobe functions. Finite nuclear mass and scalar relativistic corrections are taken into account. This study contributes to the problem of the energy differences between doublet and quartet states of boron, which have not been measured to date. It is found that the $^2P_u\\rightarrow^4P_g$ excitation energy, recommended in the Atomic Spectra Database, appears underestimated by more than 300~cm$^{-1}$.","PeriodicalId":8439,"journal":{"name":"arXiv: Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2020-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Energy difference between the lowest doublet and quartet states of the boron atom\",\"authors\":\"K. Strasburger\",\"doi\":\"10.1103/physreva.102.052806\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The energies of the lowest $^2P_u$, $^4P_g$ and $2D_g$ states of the boron atom are calculated with $\\\\mu$hartree accuracy, in the basis of symmetrized, explicitly correlated Gaussian lobe functions. Finite nuclear mass and scalar relativistic corrections are taken into account. This study contributes to the problem of the energy differences between doublet and quartet states of boron, which have not been measured to date. It is found that the $^2P_u\\\\rightarrow^4P_g$ excitation energy, recommended in the Atomic Spectra Database, appears underestimated by more than 300~cm$^{-1}$.\",\"PeriodicalId\":8439,\"journal\":{\"name\":\"arXiv: Chemical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-09-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv: Chemical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1103/physreva.102.052806\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv: Chemical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1103/physreva.102.052806","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

在对称的、显式相关的高斯波瓣函数的基础上,以$\mu$哈特里精度计算了硼原子的最低能级$^2P_u$、$^4P_g$和$2D_g$的能量。考虑了有限核质量和标量相对论修正。这项研究有助于解决硼的重态和四重奏态之间的能量差异问题,这是迄今为止尚未测量到的。发现原子光谱数据库中推荐的$^2P_u\rightarrow^4P_g$激发能似乎低估了300多cm $^{-1}$。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Energy difference between the lowest doublet and quartet states of the boron atom
The energies of the lowest $^2P_u$, $^4P_g$ and $2D_g$ states of the boron atom are calculated with $\mu$hartree accuracy, in the basis of symmetrized, explicitly correlated Gaussian lobe functions. Finite nuclear mass and scalar relativistic corrections are taken into account. This study contributes to the problem of the energy differences between doublet and quartet states of boron, which have not been measured to date. It is found that the $^2P_u\rightarrow^4P_g$ excitation energy, recommended in the Atomic Spectra Database, appears underestimated by more than 300~cm$^{-1}$.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信