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SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
https://repo.qst.go.jp/records/49481
https://repo.qst.go.jp/records/49481d52011dd-2f36-4a5b-a07c-7cfaf76d21bc
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2018-04-09 | |||||
| タイトル | ||||||
| タイトル | SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience | |||||
| 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 | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Noda, Masashi
× Noda, Masashi× A Sato, Shunsuke× Hirokawa, Yuta× Uemoto, Mitsuharu× Takeuchi, Takashi× Yamada, Shunsuke× Yamada, Atsushi× Shinohara, Yasushi× Yamaguchi, Maiku× Iida, Kenji× Floss, Isabella× Otobe, Tomohito× Kyung-Min, Lee× Ishimura, Kazuya× Bok, Taisuke× George F Bertsch× Nobusada, Katsuyuki× Yabana, Kazuhiro× Otobe, Tomohito |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for calculations of electron dynamics and optical responses of molecules, nanostructures, and crystalline solids based on first-principles time-dependent density functional theory. A core part of the software is a real-time, real-space calculation of electron dynamics in molecules and solids induced by an optical electric field solving the time-dependent Kohn-Sham equation. Using a weak instantaneous perturbing field, linear response properties such as polarizabilities and photoabsorptions in isolated systems and dielectric functions in periodic systems are calculated. Using a pulsed electric field, ultrafast electronic responses induced by optical pulses that may be highly nonlinear in the field strength are explored in time domain. A propagation of a pulsed light in bulk solids and thin films is also described by the coupled calculation of the electron dynamics in microscopic unit cells with the Maxwell’s equations for the light electromagnetic fields. The code is eciently parallelized so that it may describe electron dynamics of large systems composed of up to a few thousand atoms. The present paper provides an overview of the capabilities of the software taking several sample calculations. |
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| 書誌情報 |
Computer Physics Communications 巻 235, p. 356-365, 発行日 2018-10 |
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| 出版者 | ||||||
| 出版者 | Elsevier | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 0010-4655 | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.cpc.2018.09.018 | |||||
| 関連サイト | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | https://www.sciencedirect.com/journal/computer-physics-communications | |||||
