{"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, 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, 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}
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.
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.