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An efficient computational method for the implementation of a semi-classical instanton approach using discretized path integrals
https://doi.org/10.24517/00010881
https://doi.org/10.24517/000108816da9b8a4-3fbb-4554-8308-db66b82f3b42
名前 / ファイル | ライセンス | アクション |
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SC-PR-KAWATSU-T-12030.pdf (372.0 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | An efficient computational method for the implementation of a semi-classical instanton approach using discretized path integrals | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
ID登録 | ||||||
ID登録 | 10.24517/00010881 | |||||
ID登録タイプ | JaLC | |||||
著者 |
Kawatsu, Tsutomu
× Kawatsu, Tsutomu× Miura, Shinichi |
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著者別表示 |
河津 , 励
× 河津 , 励× 三浦, 伸一 |
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書誌情報 |
Journal of Physics: Conference Series 巻 454, 号 1, p. 12030, 発行日 2013-01-01 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1742-6588 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1088/1742-6596/454/1/012030 | |||||
出版者 | ||||||
出版者 | Institute of Physics | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | In the present paper, a numerical method for a semi-classical instanton method was examined. We implemented the instanton approach using discretized path integrals. The computational accuracy of the method is controlled by the following two parameters: the imaginary time duration (τ) and the time increment (Δτ), which represents the discretized path integral. To obtain accurate results, a long τ must be used in combination with a short Δτ; however, because the computational cost is virtually proportional to τ/Δτ, the instanton calculations were computationally expensive under these conditions. In the present study, we propose a method that reduces the computational cost and represents long τ instanton trajectories by employing an extended instanton trajectory from calculations based on a short τ. We applied the method to calculate tunnel splitting in a HO2 hydrogen transfer reaction using the double many-body extension IV potential as a validation. | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 |