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  1. 学部学科区分一覧
  2. 工学部・工学研究科
  1. 資料タイプ一覧
  2. 学術雑誌論文

An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations

https://repository.lib.tottori-u.ac.jp/records/7250
https://repository.lib.tottori-u.ac.jp/records/7250
d2160177-9680-4136-b602-876496234b18
名前 / ファイル ライセンス アクション
jcam376_112830.pdf jcam376_112830.pdf (1.9 MB)
© 2020 Elsevier B.V. All rights reserved.
Item type 学術雑誌論文 / Journal Article(1)
公開日 2020-08-07
タイトル
言語 en
タイトル An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations
言語
言語 eng
キーワード
主題 Verification method
キーワード
主題 Generalized real-symmetric eigenvalue problem
キーワード
主題 Electronic state calculation
キーワード
主題 Supercomputer
キーワード
言語 en
主題 Verification method
キーワード
言語 en
主題 Generalized real-symmetric eigenvalue problem
キーワード
言語 en
主題 Electronic state calculation
キーワード
言語 en
主題 Supercomputer
資源タイプ
資源タイプ journal article
著者 星, 健夫

× 星, 健夫

WEKO 813
e-Rad 80272384
研究者総覧鳥取大学 100000561

星, 健夫

ja-Kana ホシ, タケオ

en Hoshi, Takeo

Search repository
Ogita, Takeshi

× Ogita, Takeshi

WEKO 26897

Ogita, Takeshi

ja-Kana オギタ, タケシ

Search repository
Ozaki, Katsuhisa

× Ozaki, Katsuhisa

WEKO 26898

Ozaki, Katsuhisa

ja-Kana オザキ, カツヒサ

Search repository
Terao, Takeshi

× Terao, Takeshi

WEKO 26899

Terao, Takeshi

ja-Kana テラオ, タケシ

Search repository
Ogita, Takeshi

× Ogita, Takeshi

WEKO 26900

en Ogita, Takeshi

ja-Kana オギタ, タケシ

Search repository
Ozaki, Katsuhisa

× Ozaki, Katsuhisa

WEKO 26901

en Ozaki, Katsuhisa

ja-Kana オザキ, カツヒサ

Search repository
Terao, Takeshi

× Terao, Takeshi

WEKO 26902

en Terao, Takeshi

ja-Kana テラオ, タケシ

Search repository
著者所属(英)
en
Department of Applied Mathematics and Physics, Tottori University
著者所属(英)
en
Division of Mathematical Sciences, Tokyo Woman’s Christian University
著者所属(英)
en
Department of Mathematical Sciences, Shibaura Institute of Technology
著者所属(英)
en
Graduate School of Engineering and Science, Shibaura Institute of Technology
抄録
内容記述タイプ Abstract
内容記述 An a posteriori verification method is proposed for the generalized real-symmetric eigenvalue problem and is applied to densely clustered eigenvalue problems in large-scale electronic state calculations. The proposed method is realized by a two-stage process in which the approximate solution is computed by existing numerical libraries and is then verified in a moderate computational time. The procedure returns intervals containing one exact eigenvalue in each interval. Test calculations were carried out for organic device materials, and the verification method confirms that all exact eigenvalues are well separated in the obtained intervals. This verification method will be integrated into EigenKernel (https://github.com/eigenkernel/), which is middleware for various parallel solvers for the generalized eigenvalue problem. Such an a posteriori verification method will be important in future computational science.
書誌情報 Journal of Computational and Applied Mathematics
en : Journal of Computational and Applied Mathematics

巻 376, p. 112830, 発行日 2020-10-01
ISSN
収録物識別子タイプ ISSN
収録物識別子 03770427
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA00696002
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 10.1016/j.cam.2020.112830
権利
権利情報 © 2020 Elsevier B.V. All rights reserved.
情報源
関連名称 Hoshi Takeo, Ogita Takeshi, Ozaki Katsuhisa, et al. An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations. Journal of Computational and Applied Mathematics. 2020;376:112830.
関連サイト
識別子タイプ URI
関連識別子 https://www.sciencedirect.com/science/article/pii/S0377042720301217
関連名称 https://www.sciencedirect.com/science/article/pii/S0377042720301217
著者版フラグ
出版タイプ AM
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