{"title":"平面上的量子化旋转运动","authors":"J. Autschbach","doi":"10.1093/OSO/9780190920807.003.0015","DOIUrl":null,"url":null,"abstract":"The angular momentum for the simplified case of a particle rotating in a fixed plane is treated. The ‘perimeter model’ is the analogue of the one-dimensional particle in a box (PiaB), with the particle moving on a circle with fixed radius. This requires cyclic – or periodic – boundary conditions. It is shown that the quantum perimeter model results can be obtained by re-interpreting the coordinate of the linear PiaB and by considering the periodic boundary conditions. The eigenvalue pattern leads to a 4n+2 Huckel rule. Next, the chapter discusses hindered rotations, such as the rotation of a methyl group around a C-C bond. The solutions to the hindered rotation problem combine features of the harmonic oscillator at low energies, with features of the perimeter model at high energies.","PeriodicalId":207760,"journal":{"name":"Quantum Theory for Chemical Applications","volume":"36 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2020-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Quantized Rotational Motion in a Plane\",\"authors\":\"J. Autschbach\",\"doi\":\"10.1093/OSO/9780190920807.003.0015\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The angular momentum for the simplified case of a particle rotating in a fixed plane is treated. The ‘perimeter model’ is the analogue of the one-dimensional particle in a box (PiaB), with the particle moving on a circle with fixed radius. This requires cyclic – or periodic – boundary conditions. It is shown that the quantum perimeter model results can be obtained by re-interpreting the coordinate of the linear PiaB and by considering the periodic boundary conditions. The eigenvalue pattern leads to a 4n+2 Huckel rule. Next, the chapter discusses hindered rotations, such as the rotation of a methyl group around a C-C bond. The solutions to the hindered rotation problem combine features of the harmonic oscillator at low energies, with features of the perimeter model at high energies.\",\"PeriodicalId\":207760,\"journal\":{\"name\":\"Quantum Theory for Chemical Applications\",\"volume\":\"36 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-12-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Quantum Theory for Chemical Applications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1093/OSO/9780190920807.003.0015\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Quantum Theory for Chemical Applications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1093/OSO/9780190920807.003.0015","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The angular momentum for the simplified case of a particle rotating in a fixed plane is treated. The ‘perimeter model’ is the analogue of the one-dimensional particle in a box (PiaB), with the particle moving on a circle with fixed radius. This requires cyclic – or periodic – boundary conditions. It is shown that the quantum perimeter model results can be obtained by re-interpreting the coordinate of the linear PiaB and by considering the periodic boundary conditions. The eigenvalue pattern leads to a 4n+2 Huckel rule. Next, the chapter discusses hindered rotations, such as the rotation of a methyl group around a C-C bond. The solutions to the hindered rotation problem combine features of the harmonic oscillator at low energies, with features of the perimeter model at high energies.