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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/7250d2160177-9680-4136-b602-876496234b18
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
jcam376_112830.pdf (1.9 MB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2020-08-07 | |||||
| タイトル | ||||||
| タイトル | An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations | |||||
| 言語 | en | |||||
| 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× Ogita, Takeshi× Ozaki, Katsuhisa× Terao, Takeshi× Ogita, Takeshi× Ozaki, Katsuhisa× Terao, Takeshi |
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| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Department of Applied Mathematics and Physics, Tottori University | |||||
| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Division of Mathematical Sciences, Tokyo Woman’s Christian University | |||||
| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Department of Mathematical Sciences, Shibaura Institute of Technology | |||||
| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Graduate School of Engineering and Science, Shibaura Institute of Technology | |||||
| 抄録 | ||||||
| 内容記述タイプ | Other | |||||
| 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 |
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| 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 | |||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
