范德瓦耳斯相互作用的实空间多重散射方法

Electronic Structure Pub Date : 2024-03-19 DOI:10.1088/2516-1075/ad3591

J. Rehr, J. Kas

{"title":"范德瓦耳斯相互作用的实空间多重散射方法","authors":"J. Rehr, J. Kas","doi":"10.1088/2516-1075/ad3591","DOIUrl":null,"url":null,"abstract":"\n The van der Waals (vdW) interaction between non-overlapping systems arises from long-range correlations in electronic systems due to the attraction between their coupled density fluctuations. Here we present a treatment based on a generalized real-space multiple-scattering approach which is applicable to both spherical and non-spherical geometries. The method is tested for the vdW interactions between two isolated atoms.","PeriodicalId":502740,"journal":{"name":"Electronic Structure","volume":"70 6","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Real-space multiple-scattering approach to the van der Waals interaction\",\"authors\":\"J. Rehr, J. Kas\",\"doi\":\"10.1088/2516-1075/ad3591\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n The van der Waals (vdW) interaction between non-overlapping systems arises from long-range correlations in electronic systems due to the attraction between their coupled density fluctuations. Here we present a treatment based on a generalized real-space multiple-scattering approach which is applicable to both spherical and non-spherical geometries. The method is tested for the vdW interactions between two isolated atoms.\",\"PeriodicalId\":502740,\"journal\":{\"name\":\"Electronic Structure\",\"volume\":\"70 6\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-03-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Electronic Structure\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1088/2516-1075/ad3591\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Electronic Structure","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/2516-1075/ad3591","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

非重叠系统之间的范德华（vdW）相互作用源于电子系统中的长程相关性，这是由于其耦合密度波动之间的吸引力造成的。在此，我们介绍一种基于广义实空间多重散射方法的处理方法，该方法适用于球形和非球形几何结构。该方法针对两个孤立原子之间的 vdW 相互作用进行了测试。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Real-space multiple-scattering approach to the van der Waals interaction

The van der Waals (vdW) interaction between non-overlapping systems arises from long-range correlations in electronic systems due to the attraction between their coupled density fluctuations. Here we present a treatment based on a generalized real-space multiple-scattering approach which is applicable to both spherical and non-spherical geometries. The method is tested for the vdW interactions between two isolated atoms.

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

Electronic Structure

自引率

0.00%

发文量