多球非正交内坐标中线性 A2B2 型分子的动能算子

IF 0.9 Q4 OPTICS Atmospheric and Oceanic Optics Pub Date : 2024-01-17 DOI:10.1134/S1024856023060155
A. E. Protasevich, A. V. Nikitin
{"title":"多球非正交内坐标中线性 A2B2 型分子的动能算子","authors":"A. E. Protasevich,&nbsp;A. V. Nikitin","doi":"10.1134/S1024856023060155","DOIUrl":null,"url":null,"abstract":"<p>The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A<sub>2</sub>B<sub>2</sub> type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of heavy linear molecules, for example, C<sub>2</sub>F<sub>2</sub> and C<sub>2</sub>Cl<sub>2</sub>; they also simplify the calculation of the intensity of vibrational-rotational spectral lines of molecules belonging to this type. This work is a continuation of work [1], in which the form of the kinetic energy operator in orthogonal coordinates was obtained. To verify the expressions derived, the lower vibrational-rotational energy levels of the acetylene molecule are calculated.</p>","PeriodicalId":46751,"journal":{"name":"Atmospheric and Oceanic Optics","volume":null,"pages":null},"PeriodicalIF":0.9000,"publicationDate":"2024-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Kinetic Energy Operator for Linear A2B2 Type Molecules in Polyspherical Nonorthogonal Internal Coordinates\",\"authors\":\"A. E. Protasevich,&nbsp;A. V. Nikitin\",\"doi\":\"10.1134/S1024856023060155\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A<sub>2</sub>B<sub>2</sub> type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of heavy linear molecules, for example, C<sub>2</sub>F<sub>2</sub> and C<sub>2</sub>Cl<sub>2</sub>; they also simplify the calculation of the intensity of vibrational-rotational spectral lines of molecules belonging to this type. This work is a continuation of work [1], in which the form of the kinetic energy operator in orthogonal coordinates was obtained. To verify the expressions derived, the lower vibrational-rotational energy levels of the acetylene molecule are calculated.</p>\",\"PeriodicalId\":46751,\"journal\":{\"name\":\"Atmospheric and Oceanic Optics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.9000,\"publicationDate\":\"2024-01-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Atmospheric and Oceanic Optics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1024856023060155\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"OPTICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Atmospheric and Oceanic Optics","FirstCategoryId":"1085","ListUrlMain":"https://link.springer.com/article/10.1134/S1024856023060155","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"OPTICS","Score":null,"Total":0}
引用次数: 0

摘要

摘要 获得了 A2B2 型线性对称分子在多面体非正交内坐标(键长和键间角)下的振动-旋转动能算子的形式。非正交坐标在计算重线性分子(如 C2F2 和 C2Cl2)的波函数方面具有优势;它们还简化了属于这种类型分子的振动-旋转光谱线强度的计算。这项工作是工作[1]的继续,在工作[1]中获得了正交坐标中的动能算子形式。为了验证推导出的表达式,计算了乙炔分子的低振动-旋转能级。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

摘要图片

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
Kinetic Energy Operator for Linear A2B2 Type Molecules in Polyspherical Nonorthogonal Internal Coordinates

The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A2B2 type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of heavy linear molecules, for example, C2F2 and C2Cl2; they also simplify the calculation of the intensity of vibrational-rotational spectral lines of molecules belonging to this type. This work is a continuation of work [1], in which the form of the kinetic energy operator in orthogonal coordinates was obtained. To verify the expressions derived, the lower vibrational-rotational energy levels of the acetylene molecule are calculated.

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
CiteScore
2.40
自引率
42.90%
发文量
84
期刊介绍: Atmospheric and Oceanic Optics  is an international peer reviewed journal that presents experimental and theoretical articles relevant to a wide range of problems of atmospheric and oceanic optics, ecology, and climate. The journal coverage includes: scattering and transfer of optical waves, spectroscopy of atmospheric gases, turbulent and nonlinear optical phenomena, adaptive optics, remote (ground-based, airborne, and spaceborne) sensing of the atmosphere and the surface, methods for solving of inverse problems, new equipment for optical investigations, development of computer programs and databases for optical studies. Thematic issues are devoted to the studies of atmospheric ozone, adaptive, nonlinear, and coherent optics, regional climate and environmental monitoring, and other subjects.
期刊最新文献
The Superresonance: The Discovery That Was Not Done More Than One Hundred Years Ago Spatial Distribution of Potential Sources of Carbonaceous Aerosols in Central Siberia The Effect of Electronic Halos on the Scattering Properties of Solid Particles in the Microwave Range Aerosol Sounding of the Troposphere and Stratosphere by Lidar and Aerological Technologies Optical and Geometrical Characteristics of High-Level Clouds from the 2009–2023 Data on Laser Polarization Sensing in Tomsk
×
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