{"title":"在圆柱体、球体和螺旋上的粒子","authors":"J. Autschbach","doi":"10.1093/OSO/9780190920807.003.0018","DOIUrl":null,"url":null,"abstract":"The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certain ‘magic’ numbers of Na atoms. The model also explains the behaviour of potassium under high pressure, where the element starts to behave like a transition metal. The particle on a helix has been used to rationalize the optical activity of helical pi-conjugated molecules.","PeriodicalId":207760,"journal":{"name":"Quantum Theory for Chemical Applications","volume":"7 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2020-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Particle in a Cylinder, in a Sphere, and on a Helix\",\"authors\":\"J. Autschbach\",\"doi\":\"10.1093/OSO/9780190920807.003.0018\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certain ‘magic’ numbers of Na atoms. The model also explains the behaviour of potassium under high pressure, where the element starts to behave like a transition metal. The particle on a helix has been used to rationalize the optical activity of helical pi-conjugated molecules.\",\"PeriodicalId\":207760,\"journal\":{\"name\":\"Quantum Theory for Chemical Applications\",\"volume\":\"7 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/9780190920807.003.0018\",\"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/9780190920807.003.0018","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Particle in a Cylinder, in a Sphere, and on a Helix
The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certain ‘magic’ numbers of Na atoms. The model also explains the behaviour of potassium under high pressure, where the element starts to behave like a transition metal. The particle on a helix has been used to rationalize the optical activity of helical pi-conjugated molecules.