Numerical atomic basis orbitals from H to Kr
- ジャーナル論文
- 著者
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;T. Ozaki (author) (この著者で検索)H. Kino (author) (この著者で検索)National Institute for Materials Science
- キーワード
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- 刊行年月日
- 2004-05-28
- 更新時刻
- 2024-01-05 22:11:39 +0900
First-principles calculations of optical constants
- データセット
- 著者
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SHINOTSUKA, Hiroshi (author) (この著者で検索)
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YOSHIKAWA, Hideki (author) (この著者で検索)
;
TANUMA, Shigeo (author) (この著者で検索)
- キーワード
- first-principles calculation, energy loss function, optical constant, compound semiconductor
- 刊行年月日
- 2021-07-06
- 更新時刻
- 2022-10-03 02:03:24 +0900
First-principles study on the stability of interstitial carbon and nitrogen and their influence on the plastic deformation mechanisms in a Co–Cr–W–Ni quaternary alloy
- ジャーナル論文
- 著者
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;Kai Hiyama (author) (この著者で検索);Nana Ito (author) (この著者で検索)Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
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;Kyosuke Ueda (author) (この著者で検索)Takayuki Narushima (author) (この著者で検索) - キーワード
- Co-Cr-W-Ni alloy, biomaterial, first-principles calculation
- 刊行年月日
- 2026-08-17
- 更新時刻
- 2026-08-28 14:08:19 +0900