三维过渡金属化合物中高值超导转变温度Tc的形成因素VI.从头算簇X_\ α -离散变分法(X_\ α - dvm)的特殊性:总能量计算的修正表达式

E. Yuryeva, A. Yuryev
{"title":"三维过渡金属化合物中高值超导转变温度Tc的形成因素VI.从头算簇X_\\ α -离散变分法(X_\\ α - dvm)的特殊性:总能量计算的修正表达式","authors":"E. Yuryeva, A. Yuryev","doi":"10.12988/ASTP.2013.3997","DOIUrl":null,"url":null,"abstract":"Differences in the methods of calculating of one-electron energy in the Hartree-Fock method and methods of density functional theory are shown. We present the revised expression to calculate of total energy and the binding energy in density functional theory.","PeriodicalId":127314,"journal":{"name":"Advanced Studies in Theoretical Physics","volume":"179 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The forming factors of high values of superconducting transition temperature Tc in 3d-transition metal compounds VI. Particularities of ab initio cluster X_\\\\alpha-discrete variation method (X_\\\\alpha-DVM): revised expression for total energy calculation\",\"authors\":\"E. Yuryeva, A. Yuryev\",\"doi\":\"10.12988/ASTP.2013.3997\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Differences in the methods of calculating of one-electron energy in the Hartree-Fock method and methods of density functional theory are shown. We present the revised expression to calculate of total energy and the binding energy in density functional theory.\",\"PeriodicalId\":127314,\"journal\":{\"name\":\"Advanced Studies in Theoretical Physics\",\"volume\":\"179 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Studies in Theoretical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.12988/ASTP.2013.3997\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Studies in Theoretical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.12988/ASTP.2013.3997","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

指出了Hartree-Fock法和密度泛函理论计算单电子能量方法的不同之处。提出了密度泛函理论中计算总能量和结合能的修正表达式。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The forming factors of high values of superconducting transition temperature Tc in 3d-transition metal compounds VI. Particularities of ab initio cluster X_\alpha-discrete variation method (X_\alpha-DVM): revised expression for total energy calculation
Differences in the methods of calculating of one-electron energy in the Hartree-Fock method and methods of density functional theory are shown. We present the revised expression to calculate of total energy and the binding energy in density functional theory.
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
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信