{"title":"Gradient Flow Based Kohn-Sham Density Functional Theory Model","authors":"X. Dai, Qiao Wang, Aihui Zhou","doi":"10.1137/19m1276170","DOIUrl":null,"url":null,"abstract":"In this paper, we propose and analyze a gradient flow based model for electronic structure calculations. First, based on an extended gradient flow proposed in this paper, we propose a Kohn--Sham gr...","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"599 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2020-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Multiscale Model. Simul.","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1137/19m1276170","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 5
Abstract
In this paper, we propose and analyze a gradient flow based model for electronic structure calculations. First, based on an extended gradient flow proposed in this paper, we propose a Kohn--Sham gr...
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