{"title":"基于梯度流的Kohn-Sham密度泛函理论模型","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":"{\"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}","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}
Gradient Flow Based Kohn-Sham Density Functional Theory Model
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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