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Heitler-London法によるダイヤモンドの原子間ポテンシャル
https://doi.org/10.24517/00011682
https://doi.org/10.24517/0001168217309016-1b94-4496-b0ad-51ff88bac213
名前 / ファイル | ライセンス | アクション |
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AN00044309-16-2-169-57-62.pdf (162.8 kB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | Heitler-London法によるダイヤモンドの原子間ポテンシャル | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Interatomic Potential of Diamond by Heitler-London Method | |||||
言語 | ||||||
言語 | jpn | |||||
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 | departmental bulletin paper | |||||
ID登録 | ||||||
ID登録 | 10.24517/00011682 | |||||
ID登録タイプ | JaLC | |||||
著者 |
遠藤, 勝義
× 遠藤, 勝義× 広瀬, 喜久治× 森, 勇蔵 |
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著者別表示 |
Endoh, Katsuyoshi
× Endoh, Katsuyoshi× Hirose, Kikuji× Mori, Yuzo |
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書誌情報 |
金沢大学工学部紀要 = Memoirs of the Faculty of Technology Kanazawa University 巻 16, 号 2, p. 57-62, 発行日 1983-03-30 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0022-832X | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AN00044309 | |||||
出版者 | ||||||
出版者 | 金沢大学工学部 = Faculty of Technology Kanazawa University | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The subject of this study is to determine the interatomic potential of diamond which is a typical covalent crystal. The interatomic potential is calculated by Heitler-London method based on a proposed model. It is proposed that the binding model is considered to be the diatomic molecular type bond in approximation and the first, nearest neighbor atomic orbital is regarded as the electric charge distribution. According to the proposed model, the values of interatomic distance and cohesive energy were calculated to be 1.75Å and 5.78 x 10-19J/bond, respectively, and the values were consistent with the measured values. | |||||
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 | |||||
関連URI | ||||||
識別子タイプ | URI | |||||
関連識別子 | http://ci.nii.ac.jp/naid/40000512652/ |